7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one

C87H106N10O11 — CID 159078005

IUPAC7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(N3C(=O)CCCCC3Cc3ccccc3)n2)cc1.O=C1CCCCC(Cc2ccccc2)N1.O=C1CCCC[C@@H](Cc2ccccc2)N1c1cc(N2CCOCC2)cc(=O)[nH]1.O=C1CCCC[C@H](Cc2ccccc2)N1c1cc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C30H35N3O4.2C22H27N3O3.C13H17NO/c1-35-27-13-11-24(12-14-27)22-37-29-21-26(32-15-17-36-18-16-32)20-28(31-29)33-25(9-5-6-10-30(33)34)19-23-7-3-2-4-8-23;2*26-21-16-19(24-10-12-28-13-11-24)15-20(23-21)25-18(8-4-5-9-22(25)27)14-17-6-2-1-3-7-17;15-13-9-5-4-8-12(14-13)10-11-6-2-1-3-7-11/h2-4,7-8,11-14,20-21,25H,5-6,9-10,15-19,22H2,1H3;2*1-3,6-7,15-16,18H,4-5,8-14H2,(H,23,26);1-3,6-7,12H,4-5,8-10H2,(H,14,15)/t;2*18-;/m.10./s1
InChIKeyKAMLSMSUVHVVGA-UYQUUODHSA-N
MW1467.86 g/mol
LogP12.77
Rot. Bonds18

About 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one

7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one (PubChem CID 159078005) has the molecular formula C87H106N10O11 and a molecular weight of 1467.86 g/mol. Its IUPAC name is 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one.

Molecular Properties

Compound Name7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one
PubChem CID159078005
Molecular FormulaC87H106N10O11
Molecular Weight1467.86 g/mol
Exact Mass1466.80
IUPAC Name7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(N3C(=O)CCCCC3Cc3ccccc3)n2)cc1.O=C1CCCCC(Cc2ccccc2)N1.O=C1CCCC[C@@H](Cc2ccccc2)N1c1cc(N2CCOCC2)cc(=O)[nH]1.O=C1CCCC[C@H](Cc2ccccc2)N1c1cc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C30H35N3O4.2C22H27N3O3.C13H17NO/c1-35-27-13-11-24(12-14-27)22-37-29-21-26(32-15-17-36-18-16-32)20-28(31-29)33-25(9-5-6-10-30(33)34)19-23-7-3-2-4-8-23;2*26-21-16-19(24-10-12-28-13-11-24)15-20(23-21)25-18(8-4-5-9-22(25)27)14-17-6-2-1-3-7-17;15-13-9-5-4-8-12(14-13)10-11-6-2-1-3-7-11/h2-4,7-8,11-14,20-21,25H,5-6,9-10,15-19,22H2,1H3;2*1-3,6-7,15-16,18H,4-5,8-14H2,(H,23,26);1-3,6-7,12H,4-5,8-10H2,(H,14,15)/t;2*18-;/m.10./s1
InChIKeyKAMLSMSUVHVVGA-UYQUUODHSA-N
XLogP12.77
TPSA224.51 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.86
LogP ≤ 512.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-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 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one?
The IUPAC name of 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one (CID 159078005) is 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one.
What is the SMILES notation for 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one?
The canonical SMILES for 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one is COc1ccc(COc2cc(N3CCOCC3)cc(N3C(=O)CCCCC3Cc3ccccc3)n2)cc1.O=C1CCCCC(Cc2ccccc2)N1.O=C1CCCC[C@@H](Cc2ccccc2)N1c1cc(N2CCOCC2)cc(=O)[nH]1.O=C1CCCC[C@H](Cc2ccccc2)N1c1cc(N2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one?
The InChIKey is KAMLSMSUVHVVGA-UYQUUODHSA-N. The full InChI is InChI=1S/C30H35N3O4.2C22H27N3O3.C13H17NO/c1-35-27-13-11-24(12-14-27)22-37-29-21-26(32-15-17-36-18-16-32)20-28(31-29)33-25(9-5-6-10-30(33)34)19-23-7-3-2-4-8-23;2*26-21-16-19(24-10-12-28-13-11-24)15-20(23-21)25-18(8-4-5-9-22(25)27)14-17-6-2-1-3-7-17;15-13-9-5-4-8-12(14-13)10-11-6-2-1-3-7-11/h2-4,7-8,11-14,20-21,25H,5-6,9-10,15-19,22H2,1H3;2*1-3,6-7,15-16,18H,4-5,8-14H2,(H,23,26);1-3,6-7,12H,4-5,8-10H2,(H,14,15)/t;2*18-;/m.10./s1.
What are the key properties of 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one?
7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one has a molecular weight of 1467.86 g/mol, XLogP of 12.77, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one is sourced from PubChem (CID 159078005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).