1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one

C171H271N39O17S4 — CID 157262077

IUPAC1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)(C)CN(Cc2ccccc2)C1=O.CNC1CCC(C)(C)CN(Cc2ccccn2)C1=O.CNC1CCC(C)(C)CN(Cc2cccnc2)C1=O.CNC1CCC(C)(C)CN(Cc2cocn2)C1=O.CNC1CCC(C)(C)CN(Cc2cscn2)C1=O.CNC1CCC(C)(C)CN(Cc2ncon2)C1=O.CNC1CCC(C)(C)CN(Cc2ncsn2)C1=O.CNC1CCC(C)(C)CN(c2cc[nH]c2)C1=O.CNC1CCC(C)(C)CN(c2ccoc2)C1=O.CNC1CCC(C)(C)CN(c2ccsc2)C1=O.CNC1CCC(C)(C)CN(c2cnc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2cocn2)C1=O.CNC1CCC(C)(C)CN(c2cscn2)C1=O
InChIInChI=1S/C16H24N2O.2C15H23N3O.C13H21N3O2.C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.C12H20N4O.C12H19N3O2.C12H19N3OS/c1-16(2)10-9-14(17-3)15(19)18(12-16)11-13-7-5-4-6-8-13;1-15(2)7-6-13(16-3)14(19)18(11-15)10-12-5-4-8-17-9-12;1-15(2)8-7-13(16-3)14(19)18(11-15)10-12-6-4-5-9-17-12;2*1-13(2)5-4-11(14-3)12(17)16(8-13)6-10-7-18-9-15-10;1-13(2)6-4-11(14-3)12(17)16(9-13)10-5-7-15-8-10;2*1-13(2)6-4-11(14-3)12(16)15(9-13)10-5-7-17-8-10;2*1-12(2)5-4-9(13-3)11(17)16(7-12)6-10-14-8-18-15-10;1-12(2)5-4-9(13-3)11(17)16(7-12)10-6-14-8-15-10;2*1-12(2)5-4-9(13-3)11(16)15(7-12)10-6-17-8-14-10/h4-8,14,17H,9-12H2,1-3H3;4-5,8-9,13,16H,6-7,10-11H2,1-3H3;4-6,9,13,16H,7-8,10-11H2,1-3H3;2*7,9,11,14H,4-6,8H2,1-3H3;5,7-8,11,14-15H,4,6,9H2,1-3H3;2*5,7-8,11,14H,4,6,9H2,1-3H3;2*8-9,13H,4-7H2,1-3H3;6,8-9,13H,4-5,7H2,1-3H3,(H,14,15);2*6,8-9,13H,4-5,7H2,1-3H3
InChIKeyAXOQFKCUSOTDKZ-UHFFFAOYSA-N
MW3273.57 g/mol
LogP22.15
Rot. Bonds33

About 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one

1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 157262077) has the molecular formula C171H271N39O17S4 and a molecular weight of 3273.57 g/mol. Its IUPAC name is 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
PubChem CID157262077
Molecular FormulaC171H271N39O17S4
Molecular Weight3273.57 g/mol
Exact Mass3271.04
IUPAC Name1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)(C)CN(Cc2ccccc2)C1=O.CNC1CCC(C)(C)CN(Cc2ccccn2)C1=O.CNC1CCC(C)(C)CN(Cc2cccnc2)C1=O.CNC1CCC(C)(C)CN(Cc2cocn2)C1=O.CNC1CCC(C)(C)CN(Cc2cscn2)C1=O.CNC1CCC(C)(C)CN(Cc2ncon2)C1=O.CNC1CCC(C)(C)CN(Cc2ncsn2)C1=O.CNC1CCC(C)(C)CN(c2cc[nH]c2)C1=O.CNC1CCC(C)(C)CN(c2ccoc2)C1=O.CNC1CCC(C)(C)CN(c2ccsc2)C1=O.CNC1CCC(C)(C)CN(c2cnc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2cocn2)C1=O.CNC1CCC(C)(C)CN(c2cscn2)C1=O
InChIInChI=1S/C16H24N2O.2C15H23N3O.C13H21N3O2.C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.C12H20N4O.C12H19N3O2.C12H19N3OS/c1-16(2)10-9-14(17-3)15(19)18(12-16)11-13-7-5-4-6-8-13;1-15(2)7-6-13(16-3)14(19)18(11-15)10-12-5-4-8-17-9-12;1-15(2)8-7-13(16-3)14(19)18(11-15)10-12-6-4-5-9-17-12;2*1-13(2)5-4-11(14-3)12(17)16(8-13)6-10-7-18-9-15-10;1-13(2)6-4-11(14-3)12(17)16(9-13)10-5-7-15-8-10;2*1-13(2)6-4-11(14-3)12(16)15(9-13)10-5-7-17-8-10;2*1-12(2)5-4-9(13-3)11(17)16(7-12)6-10-14-8-18-15-10;1-12(2)5-4-9(13-3)11(17)16(7-12)10-6-14-8-15-10;2*1-12(2)5-4-9(13-3)11(16)15(7-12)10-6-17-8-14-10/h4-8,14,17H,9-12H2,1-3H3;4-5,8-9,13,16H,6-7,10-11H2,1-3H3;4-6,9,13,16H,7-8,10-11H2,1-3H3;2*7,9,11,14H,4-6,8H2,1-3H3;5,7-8,11,14-15H,4,6,9H2,1-3H3;2*5,7-8,11,14H,4,6,9H2,1-3H3;2*8-9,13H,4-7H2,1-3H3;6,8-9,13H,4-5,7H2,1-3H3,(H,14,15);2*6,8-9,13H,4-5,7H2,1-3H3
InChIKeyAXOQFKCUSOTDKZ-UHFFFAOYSA-N
XLogP22.15
TPSA646.35 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003273.57
LogP ≤ 522.15
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Launch Full Analysis

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
4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole
CID 141473078
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
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
CID 157082118
CID 157082118
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
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-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157098621
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one (CID 157262077) is 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one is CNC1CCC(C)(C)CN(Cc2ccccc2)C1=O.CNC1CCC(C)(C)CN(Cc2ccccn2)C1=O.CNC1CCC(C)(C)CN(Cc2cccnc2)C1=O.CNC1CCC(C)(C)CN(Cc2cocn2)C1=O.CNC1CCC(C)(C)CN(Cc2cscn2)C1=O.CNC1CCC(C)(C)CN(Cc2ncon2)C1=O.CNC1CCC(C)(C)CN(Cc2ncsn2)C1=O.CNC1CCC(C)(C)CN(c2cc[nH]c2)C1=O.CNC1CCC(C)(C)CN(c2ccoc2)C1=O.CNC1CCC(C)(C)CN(c2ccsc2)C1=O.CNC1CCC(C)(C)CN(c2cnc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2cocn2)C1=O.CNC1CCC(C)(C)CN(c2cscn2)C1=O.
What is the InChIKey of 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is AXOQFKCUSOTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.2C15H23N3O.C13H21N3O2.C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.C12H20N4O.C12H19N3O2.C12H19N3OS/c1-16(2)10-9-14(17-3)15(19)18(12-16)11-13-7-5-4-6-8-13;1-15(2)7-6-13(16-3)14(19)18(11-15)10-12-5-4-8-17-9-12;1-15(2)8-7-13(16-3)14(19)18(11-15)10-12-6-4-5-9-17-12;2*1-13(2)5-4-11(14-3)12(17)16(8-13)6-10-7-18-9-15-10;1-13(2)6-4-11(14-3)12(17)16(9-13)10-5-7-15-8-10;2*1-13(2)6-4-11(14-3)12(16)15(9-13)10-5-7-17-8-10;2*1-12(2)5-4-9(13-3)11(17)16(7-12)6-10-14-8-18-15-10;1-12(2)5-4-9(13-3)11(17)16(7-12)10-6-14-8-15-10;2*1-12(2)5-4-9(13-3)11(16)15(7-12)10-6-17-8-14-10/h4-8,14,17H,9-12H2,1-3H3;4-5,8-9,13,16H,6-7,10-11H2,1-3H3;4-6,9,13,16H,7-8,10-11H2,1-3H3;2*7,9,11,14H,4-6,8H2,1-3H3;5,7-8,11,14-15H,4,6,9H2,1-3H3;2*5,7-8,11,14H,4,6,9H2,1-3H3;2*8-9,13H,4-7H2,1-3H3;6,8-9,13H,4-5,7H2,1-3H3,(H,14,15);2*6,8-9,13H,4-5,7H2,1-3H3.
What are the key properties of 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one?
1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 3273.57 g/mol, XLogP of 22.15, 33 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 157262077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).