1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one

C164H253N43O16S3 — CID 158109991

IUPAC1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(Cc2ccccc2)C1=O.CNC1CCCC(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)N(Cc2cccnn2)C1=O.CNC1CCCC(C)N(Cc2ccncc2)C1=O.CNC1CCCC(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)N(Cc2cocn2)C1=O.CNC1CCCC(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)N(c2cocn2)C1=O.CNC1CCCC(C)N(c2cscn2)C1=O
InChIInChI=1S/C15H22N2O.3C14H21N3O.3C13H20N4O.C12H19N3O2.C12H19N3OS.C11H18N4O2.C11H18N4OS.C11H17N3O2.C11H17N3OS/c1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-5-3-7-13(15-2)14(18)17(11)10-12-6-4-8-16-9-12;1-11-6-5-8-13(15-2)14(18)17(11)10-12-7-3-4-9-16-12;1-11-4-3-5-13(15-2)14(18)17(11)10-12-6-8-16-9-7-12;1-10-5-3-7-12(14-2)13(18)17(10)9-11-6-4-8-15-16-11;1-10-4-3-5-12(14-2)13(18)17(10)9-11-8-15-6-7-16-11;1-10-4-3-5-12(14-2)13(18)17(10)8-11-6-7-15-9-16-11;2*1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;2*1-8-4-3-5-9(12-2)11(15)14(8)10-6-16-7-13-10/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3;4,6,8-9,11,13,15H,3,5,7,10H2,1-2H3;3-4,7,9,11,13,15H,5-6,8,10H2,1-2H3;6-9,11,13,15H,3-5,10H2,1-2H3;4,6,8,10,12,14H,3,5,7,9H2,1-2H3;6-8,10,12,14H,3-5,9H2,1-2H3;6-7,9-10,12,14H,3-5,8H2,1-2H3;2*7-9,11,13H,3-6H2,1-2H3;2*7-9,12H,3-6H2,1-2H3;2*6-9,12H,3-5H2,1-2H3
InChIKeyFQHPTEZMTMEJBT-UHFFFAOYSA-N
MW3179.31 g/mol
LogP16.97
Rot. Bonds37

About 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one

1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one (PubChem CID 158109991) has the molecular formula C164H253N43O16S3 and a molecular weight of 3179.31 g/mol. Its IUPAC name is 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one
PubChem CID158109991
Molecular FormulaC164H253N43O16S3
Molecular Weight3179.31 g/mol
Exact Mass3176.95
IUPAC Name1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(Cc2ccccc2)C1=O.CNC1CCCC(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)N(Cc2cccnn2)C1=O.CNC1CCCC(C)N(Cc2ccncc2)C1=O.CNC1CCCC(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)N(Cc2cocn2)C1=O.CNC1CCCC(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)N(c2cocn2)C1=O.CNC1CCCC(C)N(c2cscn2)C1=O
InChIInChI=1S/C15H22N2O.3C14H21N3O.3C13H20N4O.C12H19N3O2.C12H19N3OS.C11H18N4O2.C11H18N4OS.C11H17N3O2.C11H17N3OS/c1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-5-3-7-13(15-2)14(18)17(11)10-12-6-4-8-16-9-12;1-11-6-5-8-13(15-2)14(18)17(11)10-12-7-3-4-9-16-12;1-11-4-3-5-13(15-2)14(18)17(11)10-12-6-8-16-9-7-12;1-10-5-3-7-12(14-2)13(18)17(10)9-11-6-4-8-15-16-11;1-10-4-3-5-12(14-2)13(18)17(10)9-11-8-15-6-7-16-11;1-10-4-3-5-12(14-2)13(18)17(10)8-11-6-7-15-9-16-11;2*1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;2*1-8-4-3-5-9(12-2)11(15)14(8)10-6-16-7-13-10/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3;4,6,8-9,11,13,15H,3,5,7,10H2,1-2H3;3-4,7,9,11,13,15H,5-6,8,10H2,1-2H3;6-9,11,13,15H,3-5,10H2,1-2H3;4,6,8,10,12,14H,3,5,7,9H2,1-2H3;6-8,10,12,14H,3-5,9H2,1-2H3;6-7,9-10,12,14H,3-5,8H2,1-2H3;2*7-9,11,13H,3-6H2,1-2H3;2*7-9,12H,3-6H2,1-2H3;2*6-9,12H,3-5H2,1-2H3
InChIKeyFQHPTEZMTMEJBT-UHFFFAOYSA-N
XLogP16.97
TPSA678.97 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds37
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003179.31
LogP ≤ 516.97
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one?
The IUPAC name of 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one (CID 158109991) is 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one?
The canonical SMILES for 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one is CNC1CCCC(C)N(Cc2ccccc2)C1=O.CNC1CCCC(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)N(Cc2cccnn2)C1=O.CNC1CCCC(C)N(Cc2ccncc2)C1=O.CNC1CCCC(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)N(Cc2cocn2)C1=O.CNC1CCCC(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)N(c2cocn2)C1=O.CNC1CCCC(C)N(c2cscn2)C1=O.
What is the InChIKey of 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one?
The InChIKey is FQHPTEZMTMEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.3C14H21N3O.3C13H20N4O.C12H19N3O2.C12H19N3OS.C11H18N4O2.C11H18N4OS.C11H17N3O2.C11H17N3OS/c1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-5-3-7-13(15-2)14(18)17(11)10-12-6-4-8-16-9-12;1-11-6-5-8-13(15-2)14(18)17(11)10-12-7-3-4-9-16-12;1-11-4-3-5-13(15-2)14(18)17(11)10-12-6-8-16-9-7-12;1-10-5-3-7-12(14-2)13(18)17(10)9-11-6-4-8-15-16-11;1-10-4-3-5-12(14-2)13(18)17(10)9-11-8-15-6-7-16-11;1-10-4-3-5-12(14-2)13(18)17(10)8-11-6-7-15-9-16-11;2*1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;2*1-8-4-3-5-9(12-2)11(15)14(8)10-6-16-7-13-10/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3;4,6,8-9,11,13,15H,3,5,7,10H2,1-2H3;3-4,7,9,11,13,15H,5-6,8,10H2,1-2H3;6-9,11,13,15H,3-5,10H2,1-2H3;4,6,8,10,12,14H,3,5,7,9H2,1-2H3;6-8,10,12,14H,3-5,9H2,1-2H3;6-7,9-10,12,14H,3-5,8H2,1-2H3;2*7-9,11,13H,3-6H2,1-2H3;2*7-9,12H,3-6H2,1-2H3;2*6-9,12H,3-5H2,1-2H3.
What are the key properties of 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one?
1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one has a molecular weight of 3179.31 g/mol, XLogP of 16.97, 37 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one is sourced from PubChem (CID 158109991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).