1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one

C192H312N46O18S5 — CID 160566303

IUPAC1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)(C)N(Cc2nncs2)C1=O
InChIInChI=1S/2C17H28N2O.2C14H22N4O.C14H23N3O2.C14H23N3OS.C14H22N2O2.C14H22N2OS.C13H21N5O.C13H21N3OS.2C12H20N4O2.2C12H20N4OS/c1-16(2)10-6-8-13(16)12-19-15(20)14(18-5)9-7-11-17(19,3)4;1-16(2)10-8-13(11-16)12-19-15(20)14(18-5)7-6-9-17(19,3)4;1-14(2)7-4-5-12(15-3)13(19)18(14)9-11-6-8-16-10-17-11;1-14(2)6-4-5-12(15-3)13(19)18(14)10-11-9-16-7-8-17-11;2*1-10-16-8-11(19-10)9-17-13(18)12(15-4)6-5-7-14(17,2)3;2*1-14(2)7-4-5-12(15-3)13(17)16(14)9-11-6-8-18-10-11;1-13(2)6-4-5-10(14-3)12(19)18(13)7-11-16-8-15-9-17-11;1-13(2)6-4-5-11(14-3)12(17)16(13)7-10-8-18-9-15-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-15-14-8-18-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-14-8-18-15-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-15-14-8-18-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-14-8-18-15-10/h6,8,10,14,18H,7,9,11-12H2,1-5H3;8,10-11,14,18H,6-7,9,12H2,1-5H3;6,8,10,12,15H,4-5,7,9H2,1-3H3;7-9,12,15H,4-6,10H2,1-3H3;2*8,12,15H,5-7,9H2,1-4H3;2*6,8,10,12,15H,4-5,7,9H2,1-3H3;8-10,14H,4-7H2,1-3H3;8-9,11,14H,4-7H2,1-3H3;4*8-9,13H,4-7H2,1-3H3
InChIKeyQZYWKJIPIVJOHO-UHFFFAOYSA-N
MW3713.25 g/mol
LogP24.97
Rot. Bonds42

About 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one

1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 160566303) has the molecular formula C192H312N46O18S5 and a molecular weight of 3713.25 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
PubChem CID160566303
Molecular FormulaC192H312N46O18S5
Molecular Weight3713.25 g/mol
Exact Mass3710.35
IUPAC Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)(C)N(Cc2nncs2)C1=O
InChIInChI=1S/2C17H28N2O.2C14H22N4O.C14H23N3O2.C14H23N3OS.C14H22N2O2.C14H22N2OS.C13H21N5O.C13H21N3OS.2C12H20N4O2.2C12H20N4OS/c1-16(2)10-6-8-13(16)12-19-15(20)14(18-5)9-7-11-17(19,3)4;1-16(2)10-8-13(11-16)12-19-15(20)14(18-5)7-6-9-17(19,3)4;1-14(2)7-4-5-12(15-3)13(19)18(14)9-11-6-8-16-10-17-11;1-14(2)6-4-5-12(15-3)13(19)18(14)10-11-9-16-7-8-17-11;2*1-10-16-8-11(19-10)9-17-13(18)12(15-4)6-5-7-14(17,2)3;2*1-14(2)7-4-5-12(15-3)13(17)16(14)9-11-6-8-18-10-11;1-13(2)6-4-5-10(14-3)12(19)18(13)7-11-16-8-15-9-17-11;1-13(2)6-4-5-11(14-3)12(17)16(13)7-10-8-18-9-15-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-15-14-8-18-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-14-8-18-15-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-15-14-8-18-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-14-8-18-15-10/h6,8,10,14,18H,7,9,11-12H2,1-5H3;8,10-11,14,18H,6-7,9,12H2,1-5H3;6,8,10,12,15H,4-5,7,9H2,1-3H3;7-9,12,15H,4-6,10H2,1-3H3;2*8,12,15H,5-7,9H2,1-4H3;2*6,8,10,12,15H,4-5,7,9H2,1-3H3;8-10,14H,4-7H2,1-3H3;8-9,11,14H,4-7H2,1-3H3;4*8-9,13H,4-7H2,1-3H3
InChIKeyQZYWKJIPIVJOHO-UHFFFAOYSA-N
XLogP24.97
TPSA737.34 Ų
H-Bond Donors14
H-Bond Acceptors55
Rotatable Bonds42
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003713.25
LogP ≤ 524.97
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1055

Analyze 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(thiophen-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one
CID 159497416
6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 157171239
1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;6-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;6-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 160999258
1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;6-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;6-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 161420029
1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 158788696
4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one
CID 162252665
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 160790731
1-(furan-3-ylmethyl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 158680750
5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 162080898
6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 158254711
6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 160834136
4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one
CID 160806885

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one (CID 160566303) is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)(C)N(Cc2nncs2)C1=O.
What is the InChIKey of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is QZYWKJIPIVJOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H28N2O.2C14H22N4O.C14H23N3O2.C14H23N3OS.C14H22N2O2.C14H22N2OS.C13H21N5O.C13H21N3OS.2C12H20N4O2.2C12H20N4OS/c1-16(2)10-6-8-13(16)12-19-15(20)14(18-5)9-7-11-17(19,3)4;1-16(2)10-8-13(11-16)12-19-15(20)14(18-5)7-6-9-17(19,3)4;1-14(2)7-4-5-12(15-3)13(19)18(14)9-11-6-8-16-10-17-11;1-14(2)6-4-5-12(15-3)13(19)18(14)10-11-9-16-7-8-17-11;2*1-10-16-8-11(19-10)9-17-13(18)12(15-4)6-5-7-14(17,2)3;2*1-14(2)7-4-5-12(15-3)13(17)16(14)9-11-6-8-18-10-11;1-13(2)6-4-5-10(14-3)12(19)18(13)7-11-16-8-15-9-17-11;1-13(2)6-4-5-11(14-3)12(17)16(13)7-10-8-18-9-15-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-15-14-8-18-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-14-8-18-15-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-15-14-8-18-10;1-12(2)6-4-5-9(13-3)11(17)16(12)7-10-14-8-18-15-10/h6,8,10,14,18H,7,9,11-12H2,1-5H3;8,10-11,14,18H,6-7,9,12H2,1-5H3;6,8,10,12,15H,4-5,7,9H2,1-3H3;7-9,12,15H,4-6,10H2,1-3H3;2*8,12,15H,5-7,9H2,1-4H3;2*6,8,10,12,15H,4-5,7,9H2,1-3H3;8-10,14H,4-7H2,1-3H3;8-9,11,14H,4-7H2,1-3H3;4*8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 3713.25 g/mol, XLogP of 24.97, 42 rotatable bonds, 14 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 160566303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).