1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one

C152H245N37O17S4 — CID 157383128

IUPAC1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2=CC(C)(C)C=C2)CCCC1C.CNC1C(=O)N(CC2=CC=CC2(C)C)CCCC1C.CNC1C(=O)N(Cc2ccno2)CCCC1C.CNC1C(=O)N(Cc2cnc(C)o2)CCCC1C.CNC1C(=O)N(Cc2cnc(C)s2)CCCC1C.CNC1C(=O)N(Cc2cnco2)CCCC1C.CNC1C(=O)N(Cc2cncs2)CCCC1C.CNC1C(=O)N(Cc2ncc[nH]2)CCCC1C.CNC1C(=O)N(Cc2ncco2)CCCC1C.CNC1C(=O)N(Cc2nccs2)CCCC1C.CNC1C(=O)N(Cc2nnco2)CCCC1C.CNC1C(=O)N(Cc2nncs2)CCCC1C
InChIInChI=1S/2C16H26N2O.C13H21N3O2.C13H21N3OS.C12H20N4O.3C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS/c1-12-7-6-10-18(15(19)14(12)17-4)11-13-8-5-9-16(13,2)3;1-12-6-5-9-18(15(19)14(12)17-4)11-13-7-8-16(2,3)10-13;2*1-9-5-4-6-16(13(17)12(9)14-3)8-11-7-15-10(2)18-11;1-9-4-3-7-16(12(17)11(9)13-2)8-10-14-5-6-15-10;1-9-4-3-7-15(12(16)11(9)13-2)8-10-5-6-14-17-10;1-9-4-3-6-15(12(16)11(9)13-2)8-10-14-5-7-17-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;1-9-4-3-6-15(12(16)11(9)13-2)8-10-14-5-7-17-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;2*1-8-4-3-5-15(11(16)10(8)12-2)6-9-14-13-7-17-9/h5,8-9,12,14,17H,6-7,10-11H2,1-4H3;7-8,10,12,14,17H,5-6,9,11H2,1-4H3;2*7,9,12,14H,4-6,8H2,1-3H3;5-6,9,11,13H,3-4,7-8H2,1-2H3,(H,14,15);5-6,9,11,13H,3-4,7-8H2,1-2H3;5,7,9,11,13H,3-4,6,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;5,7,9,11,13H,3-4,6,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;2*7-8,10,12H,3-6H2,1-2H3
InChIKeyBLCULRABODFIBA-UHFFFAOYSA-N
MW2991.14 g/mol
LogP15.94
Rot. Bonds36

About 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one

1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one (PubChem CID 157383128) has the molecular formula C152H245N37O17S4 and a molecular weight of 2991.14 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
PubChem CID157383128
Molecular FormulaC152H245N37O17S4
Molecular Weight2991.14 g/mol
Exact Mass2988.83
IUPAC Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2=CC(C)(C)C=C2)CCCC1C.CNC1C(=O)N(CC2=CC=CC2(C)C)CCCC1C.CNC1C(=O)N(Cc2ccno2)CCCC1C.CNC1C(=O)N(Cc2cnc(C)o2)CCCC1C.CNC1C(=O)N(Cc2cnc(C)s2)CCCC1C.CNC1C(=O)N(Cc2cnco2)CCCC1C.CNC1C(=O)N(Cc2cncs2)CCCC1C.CNC1C(=O)N(Cc2ncc[nH]2)CCCC1C.CNC1C(=O)N(Cc2ncco2)CCCC1C.CNC1C(=O)N(Cc2nccs2)CCCC1C.CNC1C(=O)N(Cc2nnco2)CCCC1C.CNC1C(=O)N(Cc2nncs2)CCCC1C
InChIInChI=1S/2C16H26N2O.C13H21N3O2.C13H21N3OS.C12H20N4O.3C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS/c1-12-7-6-10-18(15(19)14(12)17-4)11-13-8-5-9-16(13,2)3;1-12-6-5-9-18(15(19)14(12)17-4)11-13-7-8-16(2,3)10-13;2*1-9-5-4-6-16(13(17)12(9)14-3)8-11-7-15-10(2)18-11;1-9-4-3-7-16(12(17)11(9)13-2)8-10-14-5-6-15-10;1-9-4-3-7-15(12(16)11(9)13-2)8-10-5-6-14-17-10;1-9-4-3-6-15(12(16)11(9)13-2)8-10-14-5-7-17-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;1-9-4-3-6-15(12(16)11(9)13-2)8-10-14-5-7-17-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;2*1-8-4-3-5-15(11(16)10(8)12-2)6-9-14-13-7-17-9/h5,8-9,12,14,17H,6-7,10-11H2,1-4H3;7-8,10,12,14,17H,5-6,9,11H2,1-4H3;2*7,9,12,14H,4-6,8H2,1-3H3;5-6,9,11,13H,3-4,7-8H2,1-2H3,(H,14,15);5-6,9,11,13H,3-4,7-8H2,1-2H3;5,7,9,11,13H,3-4,6,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;5,7,9,11,13H,3-4,6,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;2*7-8,10,12H,3-6H2,1-2H3
InChIKeyBLCULRABODFIBA-UHFFFAOYSA-N
XLogP15.94
TPSA624.25 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.14
LogP ≤ 515.94
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Analyze 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one with MolForge

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Related Compounds

CID 157096243
CID 157096243
CID 157147151
CID 157147151
1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 157162473
CID 157371674
CID 157371674
1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1,7-diphenylazepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 157462859
CID 157520739
CID 157520739
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-2-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 157541739
CID 157550053
CID 157550053
CID 157621688
CID 157621688
6,6-dimethyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157638963
1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]-7-phenylazepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-7-phenylazepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(thiophen-3-ylmethyl)azepan-2-one
CID 157676394
CID 157765213
CID 157765213

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
The IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one (CID 157383128) is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
The canonical SMILES for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one is CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCCC1C.CNC1C(=O)N(CC2=CC=CC2(C)C)CCCC1C.CNC1C(=O)N(Cc2ccno2)CCCC1C.CNC1C(=O)N(Cc2cnc(C)o2)CCCC1C.CNC1C(=O)N(Cc2cnc(C)s2)CCCC1C.CNC1C(=O)N(Cc2cnco2)CCCC1C.CNC1C(=O)N(Cc2cncs2)CCCC1C.CNC1C(=O)N(Cc2ncc[nH]2)CCCC1C.CNC1C(=O)N(Cc2ncco2)CCCC1C.CNC1C(=O)N(Cc2nccs2)CCCC1C.CNC1C(=O)N(Cc2nnco2)CCCC1C.CNC1C(=O)N(Cc2nncs2)CCCC1C.
What is the InChIKey of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
The InChIKey is BLCULRABODFIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26N2O.C13H21N3O2.C13H21N3OS.C12H20N4O.3C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS/c1-12-7-6-10-18(15(19)14(12)17-4)11-13-8-5-9-16(13,2)3;1-12-6-5-9-18(15(19)14(12)17-4)11-13-7-8-16(2,3)10-13;2*1-9-5-4-6-16(13(17)12(9)14-3)8-11-7-15-10(2)18-11;1-9-4-3-7-16(12(17)11(9)13-2)8-10-14-5-6-15-10;1-9-4-3-7-15(12(16)11(9)13-2)8-10-5-6-14-17-10;1-9-4-3-6-15(12(16)11(9)13-2)8-10-14-5-7-17-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;1-9-4-3-6-15(12(16)11(9)13-2)8-10-14-5-7-17-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;2*1-8-4-3-5-15(11(16)10(8)12-2)6-9-14-13-7-17-9/h5,8-9,12,14,17H,6-7,10-11H2,1-4H3;7-8,10,12,14,17H,5-6,9,11H2,1-4H3;2*7,9,12,14H,4-6,8H2,1-3H3;5-6,9,11,13H,3-4,7-8H2,1-2H3,(H,14,15);5-6,9,11,13H,3-4,7-8H2,1-2H3;5,7,9,11,13H,3-4,6,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;5,7,9,11,13H,3-4,6,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;2*7-8,10,12H,3-6H2,1-2H3.
What are the key properties of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one has a molecular weight of 2991.14 g/mol, XLogP of 15.94, 36 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one is sourced from PubChem (CID 157383128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).