1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one

C242H294N42O18S4 — CID 160660069

IUPAC1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(Cc2ccccc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ccccn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cccnc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ccncc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cscn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ncon2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ncsn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cc[nH]c2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccoc2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccsc2)C1=O.CNC1CCCC(c2ccccc2)N(c2cnc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cscn2)C1=O
InChIInChI=1S/C20H24N2O.3C19H23N3O.C17H21N3O2.C17H21N3OS.C17H21N3O.C17H20N2O2.C17H20N2OS.C16H20N4O2.C16H20N4OS.C16H20N4O.C16H19N3O2.C16H19N3OS/c1-21-18-13-8-14-19(17-11-6-3-7-12-17)22(20(18)23)15-16-9-4-2-5-10-16;1-20-17-10-5-11-18(16-8-3-2-4-9-16)22(19(17)23)14-15-7-6-12-21-13-15;1-20-17-11-7-12-18(15-8-3-2-4-9-15)22(19(17)23)14-16-10-5-6-13-21-16;1-20-17-8-5-9-18(16-6-3-2-4-7-16)22(19(17)23)14-15-10-12-21-13-11-15;2*1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)10-14-11-22-12-19-14;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;2*1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;2*1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)10-15-18-11-22-19-15;1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)15-10-18-11-19-15;2*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15/h2-7,9-12,18-19,21H,8,13-15H2,1H3;2-4,6-9,12-13,17-18,20H,5,10-11,14H2,1H3;2-6,8-10,13,17-18,20H,7,11-12,14H2,1H3;2-4,6-7,10-13,17-18,20H,5,8-9,14H2,1H3;2*2-4,6-7,11-12,15-16,18H,5,8-10H2,1H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2*2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;2*2-4,6-7,11,13-14,17H,5,8-10H2,1H3;2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3,(H,18,19);2*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeyRLOBFIKDNQDMAR-UHFFFAOYSA-N
MW4207.56 g/mol
LogP39.44
Rot. Bonds50

About 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one

1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one (PubChem CID 160660069) has the molecular formula C242H294N42O18S4 and a molecular weight of 4207.56 g/mol. Its IUPAC name is 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one.

Molecular Properties

Compound Name1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
PubChem CID160660069
Molecular FormulaC242H294N42O18S4
Molecular Weight4207.56 g/mol
Exact Mass4204.23
IUPAC Name1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(Cc2ccccc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ccccn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cccnc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ccncc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cscn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ncon2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ncsn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cc[nH]c2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccoc2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccsc2)C1=O.CNC1CCCC(c2ccccc2)N(c2cnc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cscn2)C1=O
InChIInChI=1S/C20H24N2O.3C19H23N3O.C17H21N3O2.C17H21N3OS.C17H21N3O.C17H20N2O2.C17H20N2OS.C16H20N4O2.C16H20N4OS.C16H20N4O.C16H19N3O2.C16H19N3OS/c1-21-18-13-8-14-19(17-11-6-3-7-12-17)22(20(18)23)15-16-9-4-2-5-10-16;1-20-17-10-5-11-18(16-8-3-2-4-9-16)22(19(17)23)14-15-7-6-12-21-13-15;1-20-17-11-7-12-18(15-8-3-2-4-9-15)22(19(17)23)14-16-10-5-6-13-21-16;1-20-17-8-5-9-18(16-6-3-2-4-7-16)22(19(17)23)14-15-10-12-21-13-11-15;2*1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)10-14-11-22-12-19-14;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;2*1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;2*1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)10-15-18-11-22-19-15;1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)15-10-18-11-19-15;2*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15/h2-7,9-12,18-19,21H,8,13-15H2,1H3;2-4,6-9,12-13,17-18,20H,5,10-11,14H2,1H3;2-6,8-10,13,17-18,20H,7,11-12,14H2,1H3;2-4,6-7,10-13,17-18,20H,5,8-9,14H2,1H3;2*2-4,6-7,11-12,15-16,18H,5,8-10H2,1H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2*2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;2*2-4,6-7,11,13-14,17H,5,8-10H2,1H3;2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3,(H,18,19);2*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeyRLOBFIKDNQDMAR-UHFFFAOYSA-N
XLogP39.44
TPSA691.58 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds50
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004207.56
LogP ≤ 539.44
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one with MolForge

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Related Compounds

2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-pyridin-2-yl-6-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperazin-2-yl]-1,3-oxazole
CID 141284523
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-(pyrimidin-4-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 157050832
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
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-(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-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
CID 157076101
CID 157082118
CID 157082118
4-benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
CID 157120267
CID 157120267
CID 157140927
CID 157140927
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
4,4-Dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 157167415

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The IUPAC name of 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one (CID 160660069) is 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one.
What is the SMILES notation for 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The canonical SMILES for 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one is CNC1CCCC(c2ccccc2)N(Cc2ccccc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ccccn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cccnc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ccncc2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2cscn2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ncon2)C1=O.CNC1CCCC(c2ccccc2)N(Cc2ncsn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cc[nH]c2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccoc2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccsc2)C1=O.CNC1CCCC(c2ccccc2)N(c2cnc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cscn2)C1=O.
What is the InChIKey of 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The InChIKey is RLOBFIKDNQDMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.3C19H23N3O.C17H21N3O2.C17H21N3OS.C17H21N3O.C17H20N2O2.C17H20N2OS.C16H20N4O2.C16H20N4OS.C16H20N4O.C16H19N3O2.C16H19N3OS/c1-21-18-13-8-14-19(17-11-6-3-7-12-17)22(20(18)23)15-16-9-4-2-5-10-16;1-20-17-10-5-11-18(16-8-3-2-4-9-16)22(19(17)23)14-15-7-6-12-21-13-15;1-20-17-11-7-12-18(15-8-3-2-4-9-15)22(19(17)23)14-16-10-5-6-13-21-16;1-20-17-8-5-9-18(16-6-3-2-4-7-16)22(19(17)23)14-15-10-12-21-13-11-15;2*1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)10-14-11-22-12-19-14;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;2*1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;2*1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)10-15-18-11-22-19-15;1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)15-10-18-11-19-15;2*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15/h2-7,9-12,18-19,21H,8,13-15H2,1H3;2-4,6-9,12-13,17-18,20H,5,10-11,14H2,1H3;2-6,8-10,13,17-18,20H,7,11-12,14H2,1H3;2-4,6-7,10-13,17-18,20H,5,8-9,14H2,1H3;2*2-4,6-7,11-12,15-16,18H,5,8-10H2,1H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2*2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;2*2-4,6-7,11,13-14,17H,5,8-10H2,1H3;2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3,(H,18,19);2*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3.
What are the key properties of 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one has a molecular weight of 4207.56 g/mol, XLogP of 39.44, 50 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one is sourced from PubChem (CID 160660069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).