1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

C192H288N40O14S2 — CID 157461894

IUPAC1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCNC1C(=O)N(Cc2ccccc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccccn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cccnc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cccnn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccncc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccncn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccoc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccsc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cnccn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncncn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncon2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncsn2)C2CCCC2CC1C
InChIInChI=1S/C18H26N2O.3C17H25N3O.3C16H24N4O.C16H24N2O2.C16H24N2OS.C15H23N5O.C14H22N4O2.C14H22N4OS/c1-13-11-15-9-6-10-16(15)20(18(21)17(13)19-2)12-14-7-4-3-5-8-14;1-12-9-14-6-3-7-15(14)20(17(21)16(12)18-2)11-13-5-4-8-19-10-13;1-12-10-13-6-5-8-15(13)20(17(21)16(12)18-2)11-14-7-3-4-9-19-14;1-12-10-14-4-3-5-15(14)20(17(21)16(12)18-2)11-13-6-8-19-9-7-13;1-11-9-12-5-3-7-14(12)20(16(21)15(11)17-2)10-13-6-4-8-18-19-13;1-11-8-12-4-3-5-14(12)20(16(21)15(11)17-2)10-13-9-18-6-7-19-13;1-11-8-12-4-3-5-14(12)20(16(21)15(11)17-2)9-13-6-7-18-10-19-13;2*1-11-8-13-4-3-5-14(13)18(16(19)15(11)17-2)9-12-6-7-20-10-12;1-10-6-11-4-3-5-12(11)20(15(21)14(10)16-2)7-13-18-8-17-9-19-13;2*1-9-6-10-4-3-5-11(10)18(14(19)13(9)15-2)7-12-16-8-20-17-12/h3-5,7-8,13,15-17,19H,6,9-12H2,1-2H3;4-5,8,10,12,14-16,18H,3,6-7,9,11H2,1-2H3;3-4,7,9,12-13,15-16,18H,5-6,8,10-11H2,1-2H3;6-9,12,14-16,18H,3-5,10-11H2,1-2H3;4,6,8,11-12,14-15,17H,3,5,7,9-10H2,1-2H3;6-7,9,11-12,14-15,17H,3-5,8,10H2,1-2H3;6-7,10-12,14-15,17H,3-5,8-9H2,1-2H3;2*6-7,10-11,13-15,17H,3-5,8-9H2,1-2H3;8-12,14,16H,3-7H2,1-2H3;2*8-11,13,15H,3-7H2,1-2H3
InChIKeyBUAGFMMBRVGTKG-UHFFFAOYSA-N
MW3444.82 g/mol
LogP23.37
Rot. Bonds36

About 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (PubChem CID 157461894) has the molecular formula C192H288N40O14S2 and a molecular weight of 3444.82 g/mol. Its IUPAC name is 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.

Molecular Properties

Compound Name1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
PubChem CID157461894
Molecular FormulaC192H288N40O14S2
Molecular Weight3444.82 g/mol
Exact Mass3442.25
IUPAC Name1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCNC1C(=O)N(Cc2ccccc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccccn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cccnc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cccnn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccncc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccncn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccoc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccsc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cnccn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncncn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncon2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncsn2)C2CCCC2CC1C
InChIInChI=1S/C18H26N2O.3C17H25N3O.3C16H24N4O.C16H24N2O2.C16H24N2OS.C15H23N5O.C14H22N4O2.C14H22N4OS/c1-13-11-15-9-6-10-16(15)20(18(21)17(13)19-2)12-14-7-4-3-5-8-14;1-12-9-14-6-3-7-15(14)20(17(21)16(12)18-2)11-13-5-4-8-19-10-13;1-12-10-13-6-5-8-15(13)20(17(21)16(12)18-2)11-14-7-3-4-9-19-14;1-12-10-14-4-3-5-15(14)20(17(21)16(12)18-2)11-13-6-8-19-9-7-13;1-11-9-12-5-3-7-14(12)20(16(21)15(11)17-2)10-13-6-4-8-18-19-13;1-11-8-12-4-3-5-14(12)20(16(21)15(11)17-2)10-13-9-18-6-7-19-13;1-11-8-12-4-3-5-14(12)20(16(21)15(11)17-2)9-13-6-7-18-10-19-13;2*1-11-8-13-4-3-5-14(13)18(16(19)15(11)17-2)9-12-6-7-20-10-12;1-10-6-11-4-3-5-12(11)20(15(21)14(10)16-2)7-13-18-8-17-9-19-13;2*1-9-6-10-4-3-5-11(10)18(14(19)13(9)15-2)7-12-16-8-20-17-12/h3-5,7-8,13,15-17,19H,6,9-12H2,1-2H3;4-5,8,10,12,14-16,18H,3,6-7,9,11H2,1-2H3;3-4,7,9,12-13,15-16,18H,5-6,8,10-11H2,1-2H3;6-9,12,14-16,18H,3-5,10-11H2,1-2H3;4,6,8,11-12,14-15,17H,3,5,7,9-10H2,1-2H3;6-7,9,11-12,14-15,17H,3-5,8,10H2,1-2H3;6-7,10-12,14-15,17H,3-5,8-9H2,1-2H3;2*6-7,10-11,13-15,17H,3-5,8-9H2,1-2H3;8-12,14,16H,3-7H2,1-2H3;2*8-11,13,15H,3-7H2,1-2H3
InChIKeyBUAGFMMBRVGTKG-UHFFFAOYSA-N
XLogP23.37
TPSA620.60 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds36
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003444.82
LogP ≤ 523.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The IUPAC name of 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (CID 157461894) is 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.
What is the SMILES notation for 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The canonical SMILES for 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is CNC1C(=O)N(Cc2ccccc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccccn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cccnc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cccnn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccncc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccncn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccoc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ccsc2)C2CCCC2CC1C.CNC1C(=O)N(Cc2cnccn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncncn2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncon2)C2CCCC2CC1C.CNC1C(=O)N(Cc2ncsn2)C2CCCC2CC1C.
What is the InChIKey of 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The InChIKey is BUAGFMMBRVGTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.3C17H25N3O.3C16H24N4O.C16H24N2O2.C16H24N2OS.C15H23N5O.C14H22N4O2.C14H22N4OS/c1-13-11-15-9-6-10-16(15)20(18(21)17(13)19-2)12-14-7-4-3-5-8-14;1-12-9-14-6-3-7-15(14)20(17(21)16(12)18-2)11-13-5-4-8-19-10-13;1-12-10-13-6-5-8-15(13)20(17(21)16(12)18-2)11-14-7-3-4-9-19-14;1-12-10-14-4-3-5-15(14)20(17(21)16(12)18-2)11-13-6-8-19-9-7-13;1-11-9-12-5-3-7-14(12)20(16(21)15(11)17-2)10-13-6-4-8-18-19-13;1-11-8-12-4-3-5-14(12)20(16(21)15(11)17-2)10-13-9-18-6-7-19-13;1-11-8-12-4-3-5-14(12)20(16(21)15(11)17-2)9-13-6-7-18-10-19-13;2*1-11-8-13-4-3-5-14(13)18(16(19)15(11)17-2)9-12-6-7-20-10-12;1-10-6-11-4-3-5-12(11)20(15(21)14(10)16-2)7-13-18-8-17-9-19-13;2*1-9-6-10-4-3-5-11(10)18(14(19)13(9)15-2)7-12-16-8-20-17-12/h3-5,7-8,13,15-17,19H,6,9-12H2,1-2H3;4-5,8,10,12,14-16,18H,3,6-7,9,11H2,1-2H3;3-4,7,9,12-13,15-16,18H,5-6,8,10-11H2,1-2H3;6-9,12,14-16,18H,3-5,10-11H2,1-2H3;4,6,8,11-12,14-15,17H,3,5,7,9-10H2,1-2H3;6-7,9,11-12,14-15,17H,3-5,8,10H2,1-2H3;6-7,10-12,14-15,17H,3-5,8-9H2,1-2H3;2*6-7,10-11,13-15,17H,3-5,8-9H2,1-2H3;8-12,14,16H,3-7H2,1-2H3;2*8-11,13,15H,3-7H2,1-2H3.
What are the key properties of 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one has a molecular weight of 3444.82 g/mol, XLogP of 23.37, 36 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-ylmethyl)-4-methyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;4-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is sourced from PubChem (CID 157461894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).