1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

C206H303N41O18S4 — CID 157385948

IUPAC1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCNC1CCC2(CCCC2)CN(Cc2cncs2)C1=O.CNC1CCC2CCCC2N(Cc2ccccc2)C1=O.CNC1CCC2CCCC2N(Cc2ccccn2)C1=O.CNC1CCC2CCCC2N(Cc2cccnc2)C1=O.CNC1CCC2CCCC2N(Cc2cccnn2)C1=O.CNC1CCC2CCCC2N(Cc2ccncc2)C1=O.CNC1CCC2CCCC2N(Cc2ccno2)C1=O.CNC1CCC2CCCC2N(Cc2cnco2)C1=O.CNC1CCC2CCCC2N(Cc2ncc[nH]2)C1=O.CNC1CCC2CCCC2N(Cc2ncco2)C1=O.CNC1CCC2CCCC2N(Cc2nccs2)C1=O.CNC1CCC2CCCC2N(c2ccoc2)C1=O.CNC1CCC2CCCC2N(c2ccsc2)C1=O.CNC1CCC2CCCC2N(c2cscn2)C1=O
InChIInChI=1S/C17H24N2O.3C16H23N3O.C15H22N4O.C15H23N3OS.C14H22N4O.3C14H21N3O2.C14H21N3OS.C14H20N2O2.C14H20N2OS.C13H19N3OS/c1-18-15-11-10-14-8-5-9-16(14)19(17(15)20)12-13-6-3-2-4-7-13;1-17-14-8-7-13-5-2-6-15(13)19(16(14)20)11-12-4-3-9-18-10-12;1-17-14-9-8-12-5-4-7-15(12)19(16(14)20)11-13-6-2-3-10-18-13;1-17-14-6-5-13-3-2-4-15(13)19(16(14)20)11-12-7-9-18-10-8-12;1-16-13-8-7-11-4-2-6-14(11)19(15(13)20)10-12-5-3-9-17-18-12;1-16-13-4-7-15(5-2-3-6-15)10-18(14(13)19)9-12-8-17-11-20-12;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)9-13-16-7-8-17-13;1-15-12-6-5-10-3-2-4-13(10)17(14(12)18)8-11-7-16-9-19-11;1-15-12-6-5-10-3-2-4-13(10)17(14(12)18)9-11-7-8-16-19-11;2*1-15-11-6-5-10-3-2-4-12(10)17(14(11)18)9-13-16-7-8-19-13;2*1-15-12-6-5-10-3-2-4-13(10)16(14(12)17)11-7-8-18-9-11;1-14-10-6-5-9-3-2-4-11(9)16(13(10)17)12-7-18-8-15-12/h2-4,6-7,14-16,18H,5,8-12H2,1H3;3-4,9-10,13-15,17H,2,5-8,11H2,1H3;2-3,6,10,12,14-15,17H,4-5,7-9,11H2,1H3;7-10,13-15,17H,2-6,11H2,1H3;3,5,9,11,13-14,16H,2,4,6-8,10H2,1H3;8,11,13,16H,2-7,9-10H2,1H3;7-8,10-12,15H,2-6,9H2,1H3,(H,16,17);7,9-10,12-13,15H,2-6,8H2,1H3;7-8,10,12-13,15H,2-6,9H2,1H3;2*7-8,10-12,15H,2-6,9H2,1H3;2*7-10,12-13,15H,2-6H2,1H3;7-11,14H,2-6H2,1H3
InChIKeyBLKVGCAZZARZKF-UHFFFAOYSA-N
MW3770.23 g/mol
LogP27.01
Rot. Bonds39

About 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (PubChem CID 157385948) has the molecular formula C206H303N41O18S4 and a molecular weight of 3770.23 g/mol. Its IUPAC name is 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
PubChem CID157385948
Molecular FormulaC206H303N41O18S4
Molecular Weight3770.23 g/mol
Exact Mass3767.29
IUPAC Name1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCNC1CCC2(CCCC2)CN(Cc2cncs2)C1=O.CNC1CCC2CCCC2N(Cc2ccccc2)C1=O.CNC1CCC2CCCC2N(Cc2ccccn2)C1=O.CNC1CCC2CCCC2N(Cc2cccnc2)C1=O.CNC1CCC2CCCC2N(Cc2cccnn2)C1=O.CNC1CCC2CCCC2N(Cc2ccncc2)C1=O.CNC1CCC2CCCC2N(Cc2ccno2)C1=O.CNC1CCC2CCCC2N(Cc2cnco2)C1=O.CNC1CCC2CCCC2N(Cc2ncc[nH]2)C1=O.CNC1CCC2CCCC2N(Cc2ncco2)C1=O.CNC1CCC2CCCC2N(Cc2nccs2)C1=O.CNC1CCC2CCCC2N(c2ccoc2)C1=O.CNC1CCC2CCCC2N(c2ccsc2)C1=O.CNC1CCC2CCCC2N(c2cscn2)C1=O
InChIInChI=1S/C17H24N2O.3C16H23N3O.C15H22N4O.C15H23N3OS.C14H22N4O.3C14H21N3O2.C14H21N3OS.C14H20N2O2.C14H20N2OS.C13H19N3OS/c1-18-15-11-10-14-8-5-9-16(14)19(17(15)20)12-13-6-3-2-4-7-13;1-17-14-8-7-13-5-2-6-15(13)19(16(14)20)11-12-4-3-9-18-10-12;1-17-14-9-8-12-5-4-7-15(12)19(16(14)20)11-13-6-2-3-10-18-13;1-17-14-6-5-13-3-2-4-15(13)19(16(14)20)11-12-7-9-18-10-8-12;1-16-13-8-7-11-4-2-6-14(11)19(15(13)20)10-12-5-3-9-17-18-12;1-16-13-4-7-15(5-2-3-6-15)10-18(14(13)19)9-12-8-17-11-20-12;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)9-13-16-7-8-17-13;1-15-12-6-5-10-3-2-4-13(10)17(14(12)18)8-11-7-16-9-19-11;1-15-12-6-5-10-3-2-4-13(10)17(14(12)18)9-11-7-8-16-19-11;2*1-15-11-6-5-10-3-2-4-12(10)17(14(11)18)9-13-16-7-8-19-13;2*1-15-12-6-5-10-3-2-4-13(10)16(14(12)17)11-7-8-18-9-11;1-14-10-6-5-9-3-2-4-11(9)16(13(10)17)12-7-18-8-15-12/h2-4,6-7,14-16,18H,5,8-12H2,1H3;3-4,9-10,13-15,17H,2,5-8,11H2,1H3;2-3,6,10,12,14-15,17H,4-5,7-9,11H2,1H3;7-10,13-15,17H,2-6,11H2,1H3;3,5,9,11,13-14,16H,2,4,6-8,10H2,1H3;8,11,13,16H,2-7,9-10H2,1H3;7-8,10-12,15H,2-6,9H2,1H3,(H,16,17);7,9-10,12-13,15H,2-6,8H2,1H3;7-8,10,12-13,15H,2-6,9H2,1H3;2*7-8,10-12,15H,2-6,9H2,1H3;2*7-10,12-13,15H,2-6H2,1H3;7-11,14H,2-6H2,1H3
InChIKeyBLKVGCAZZARZKF-UHFFFAOYSA-N
XLogP27.01
TPSA675.79 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds39
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003770.23
LogP ≤ 527.01
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The IUPAC name of 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (CID 157385948) is 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.
What is the SMILES notation for 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The canonical SMILES for 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is CNC1CCC2(CCCC2)CN(Cc2cncs2)C1=O.CNC1CCC2CCCC2N(Cc2ccccc2)C1=O.CNC1CCC2CCCC2N(Cc2ccccn2)C1=O.CNC1CCC2CCCC2N(Cc2cccnc2)C1=O.CNC1CCC2CCCC2N(Cc2cccnn2)C1=O.CNC1CCC2CCCC2N(Cc2ccncc2)C1=O.CNC1CCC2CCCC2N(Cc2ccno2)C1=O.CNC1CCC2CCCC2N(Cc2cnco2)C1=O.CNC1CCC2CCCC2N(Cc2ncc[nH]2)C1=O.CNC1CCC2CCCC2N(Cc2ncco2)C1=O.CNC1CCC2CCCC2N(Cc2nccs2)C1=O.CNC1CCC2CCCC2N(c2ccoc2)C1=O.CNC1CCC2CCCC2N(c2ccsc2)C1=O.CNC1CCC2CCCC2N(c2cscn2)C1=O.
What is the InChIKey of 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The InChIKey is BLKVGCAZZARZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.3C16H23N3O.C15H22N4O.C15H23N3OS.C14H22N4O.3C14H21N3O2.C14H21N3OS.C14H20N2O2.C14H20N2OS.C13H19N3OS/c1-18-15-11-10-14-8-5-9-16(14)19(17(15)20)12-13-6-3-2-4-7-13;1-17-14-8-7-13-5-2-6-15(13)19(16(14)20)11-12-4-3-9-18-10-12;1-17-14-9-8-12-5-4-7-15(12)19(16(14)20)11-13-6-2-3-10-18-13;1-17-14-6-5-13-3-2-4-15(13)19(16(14)20)11-12-7-9-18-10-8-12;1-16-13-8-7-11-4-2-6-14(11)19(15(13)20)10-12-5-3-9-17-18-12;1-16-13-4-7-15(5-2-3-6-15)10-18(14(13)19)9-12-8-17-11-20-12;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)9-13-16-7-8-17-13;1-15-12-6-5-10-3-2-4-13(10)17(14(12)18)8-11-7-16-9-19-11;1-15-12-6-5-10-3-2-4-13(10)17(14(12)18)9-11-7-8-16-19-11;2*1-15-11-6-5-10-3-2-4-12(10)17(14(11)18)9-13-16-7-8-19-13;2*1-15-12-6-5-10-3-2-4-13(10)16(14(12)17)11-7-8-18-9-11;1-14-10-6-5-9-3-2-4-11(9)16(13(10)17)12-7-18-8-15-12/h2-4,6-7,14-16,18H,5,8-12H2,1H3;3-4,9-10,13-15,17H,2,5-8,11H2,1H3;2-3,6,10,12,14-15,17H,4-5,7-9,11H2,1H3;7-10,13-15,17H,2-6,11H2,1H3;3,5,9,11,13-14,16H,2,4,6-8,10H2,1H3;8,11,13,16H,2-7,9-10H2,1H3;7-8,10-12,15H,2-6,9H2,1H3,(H,16,17);7,9-10,12-13,15H,2-6,8H2,1H3;7-8,10,12-13,15H,2-6,9H2,1H3;2*7-8,10-12,15H,2-6,9H2,1H3;2*7-10,12-13,15H,2-6H2,1H3;7-11,14H,2-6H2,1H3.
What are the key properties of 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one has a molecular weight of 3770.23 g/mol, XLogP of 27.01, 39 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;9-(methylamino)-7-(1,3-thiazol-5-ylmethyl)-7-azaspiro[4.6]undecan-8-one;3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is sourced from PubChem (CID 157385948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).