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

C159H248N36O16S4 — CID 157462859

IUPAC1-[(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
SMILESCNC1CCCC(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)N(Cc2ccno2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)N(Cc2cnco2)C1=O.CNC1CCCC(C)N(Cc2cncs2)C1=O.CNC1CCCC(C)N(Cc2ncc[nH]2)C1=O.CNC1CCCC(C)N(Cc2nccs2)C1=O.CNC1CCCC(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)N(Cc2nncs2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H22N2O.2C16H26N2O.C13H21N3O2.C13H21N3OS.C12H20N4O.2C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS/c1-20-17-13-8-14-18(15-9-4-2-5-10-15)21(19(17)22)16-11-6-3-7-12-16;1-12-7-5-9-14(17-4)15(19)18(12)11-13-8-6-10-16(13,2)3;1-12-6-5-7-14(17-4)15(19)18(12)11-13-8-9-16(2,3)10-13;2*1-9-5-4-6-12(14-3)13(17)16(9)8-11-7-15-10(2)18-11;1-9-4-3-5-10(13-2)12(17)16(9)8-11-14-6-7-15-11;1-9-4-3-5-11(13-2)12(16)15(9)7-10-6-14-8-17-10;1-9-4-3-5-11(13-2)12(16)15(9)8-10-6-7-14-17-10;1-9-4-3-5-11(13-2)12(16)15(9)7-10-6-14-8-17-10;1-9-4-3-5-10(13-2)12(16)15(9)8-11-14-6-7-17-11;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-14-13-7-17-10/h2-7,9-12,17-18,20H,8,13-14H2,1H3;6,8,10,12,14,17H,5,7,9,11H2,1-4H3;8-10,12,14,17H,5-7,11H2,1-4H3;2*7,9,12,14H,4-6,8H2,1-3H3;6-7,9-10,13H,3-5,8H2,1-2H3,(H,14,15);6,8-9,11,13H,3-5,7H2,1-2H3;6-7,9,11,13H,3-5,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;6-7,9-10,13H,3-5,8H2,1-2H3;2*7-9,12H,3-6H2,1-2H3
InChIKeyBUDCSOFUSQCORH-UHFFFAOYSA-N
MW3048.24 g/mol
LogP20.02
Rot. Bonds36

About 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

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 (PubChem CID 157462859) has the molecular formula C159H248N36O16S4 and a molecular weight of 3048.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID157462859
Molecular FormulaC159H248N36O16S4
Molecular Weight3048.24 g/mol
Exact Mass3045.86
IUPAC Name1-[(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
SMILESCNC1CCCC(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)N(Cc2ccno2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)N(Cc2cnco2)C1=O.CNC1CCCC(C)N(Cc2cncs2)C1=O.CNC1CCCC(C)N(Cc2ncc[nH]2)C1=O.CNC1CCCC(C)N(Cc2nccs2)C1=O.CNC1CCCC(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)N(Cc2nncs2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H22N2O.2C16H26N2O.C13H21N3O2.C13H21N3OS.C12H20N4O.2C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS/c1-20-17-13-8-14-18(15-9-4-2-5-10-15)21(19(17)22)16-11-6-3-7-12-16;1-12-7-5-9-14(17-4)15(19)18(12)11-13-8-6-10-16(13,2)3;1-12-6-5-7-14(17-4)15(19)18(12)11-13-8-9-16(2,3)10-13;2*1-9-5-4-6-12(14-3)13(17)16(9)8-11-7-15-10(2)18-11;1-9-4-3-5-10(13-2)12(17)16(9)8-11-14-6-7-15-11;1-9-4-3-5-11(13-2)12(16)15(9)7-10-6-14-8-17-10;1-9-4-3-5-11(13-2)12(16)15(9)8-10-6-7-14-17-10;1-9-4-3-5-11(13-2)12(16)15(9)7-10-6-14-8-17-10;1-9-4-3-5-10(13-2)12(16)15(9)8-11-14-6-7-17-11;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-14-13-7-17-10/h2-7,9-12,17-18,20H,8,13-14H2,1H3;6,8,10,12,14,17H,5,7,9,11H2,1-4H3;8-10,12,14,17H,5-7,11H2,1-4H3;2*7,9,12,14H,4-6,8H2,1-3H3;6-7,9-10,13H,3-5,8H2,1-2H3,(H,14,15);6,8-9,11,13H,3-5,7H2,1-2H3;6-7,9,11,13H,3-5,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;6-7,9-10,13H,3-5,8H2,1-2H3;2*7-9,12H,3-6H2,1-2H3
InChIKeyBUDCSOFUSQCORH-UHFFFAOYSA-N
XLogP20.02
TPSA598.22 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds36
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003048.24
LogP ≤ 520.02
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Analyze 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 with MolForge

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Related Compounds

CID 157082118
CID 157082118
CID 157096243
CID 157096243
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 157176261
CID 157176261
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-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-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-5-ylmethyl)azepan-2-one;6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one
CID 157305874
CID 157371674
CID 157371674
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
CID 157505252
CID 157505252
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1CCCC(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)N(Cc2ccno2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)N(Cc2cnco2)C1=O.CNC1CCCC(C)N(Cc2cncs2)C1=O.CNC1CCCC(C)N(Cc2ncc[nH]2)C1=O.CNC1CCCC(C)N(Cc2nccs2)C1=O.CNC1CCCC(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)N(Cc2nncs2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 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?
The InChIKey is BUDCSOFUSQCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.2C16H26N2O.C13H21N3O2.C13H21N3OS.C12H20N4O.2C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS/c1-20-17-13-8-14-18(15-9-4-2-5-10-15)21(19(17)22)16-11-6-3-7-12-16;1-12-7-5-9-14(17-4)15(19)18(12)11-13-8-6-10-16(13,2)3;1-12-6-5-7-14(17-4)15(19)18(12)11-13-8-9-16(2,3)10-13;2*1-9-5-4-6-12(14-3)13(17)16(9)8-11-7-15-10(2)18-11;1-9-4-3-5-10(13-2)12(17)16(9)8-11-14-6-7-15-11;1-9-4-3-5-11(13-2)12(16)15(9)7-10-6-14-8-17-10;1-9-4-3-5-11(13-2)12(16)15(9)8-10-6-7-14-17-10;1-9-4-3-5-11(13-2)12(16)15(9)7-10-6-14-8-17-10;1-9-4-3-5-10(13-2)12(16)15(9)8-11-14-6-7-17-11;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-14-13-7-17-10/h2-7,9-12,17-18,20H,8,13-14H2,1H3;6,8,10,12,14,17H,5,7,9,11H2,1-4H3;8-10,12,14,17H,5-7,11H2,1-4H3;2*7,9,12,14H,4-6,8H2,1-3H3;6-7,9-10,13H,3-5,8H2,1-2H3,(H,14,15);6,8-9,11,13H,3-5,7H2,1-2H3;6-7,9,11,13H,3-5,8H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;6-7,9-10,13H,3-5,8H2,1-2H3;2*7-9,12H,3-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3048.24 g/mol, XLogP of 20.02, 36 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157462859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).