3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide

C27H28N2O3 — CID 92872473

IUPAC3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C27H28N2O3/c1-32-25-15-6-5-11-23(25)18-28-26(30)22-13-7-12-21(17-22)24-14-8-16-29(19-24)27(31)20-9-3-2-4-10-20/h2-7,9-13,15,17,24H,8,14,16,18-19H2,1H3,(H,28,30)/t24-/m1/s1
InChIKeyIASWKXZIHAOXQM-XMMPIXPASA-N
MW428.53 g/mol
LogP4.64
Rot. Bonds6

About 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide

3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 92872473) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID92872473
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C27H28N2O3/c1-32-25-15-6-5-11-23(25)18-28-26(30)22-13-7-12-21(17-22)24-14-8-16-29(19-24)27(31)20-9-3-2-4-10-20/h2-7,9-13,15,17,24H,8,14,16,18-19H2,1H3,(H,28,30)/t24-/m1/s1
InChIKeyIASWKXZIHAOXQM-XMMPIXPASA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
3-[3-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789015
3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 92872465
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333958
N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 92872314
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide (CID 92872473) is 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is IASWKXZIHAOXQM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-25-15-6-5-11-23(25)18-28-26(30)22-13-7-12-21(17-22)24-14-8-16-29(19-24)27(31)20-9-3-2-4-10-20/h2-7,9-13,15,17,24H,8,14,16,18-19H2,1H3,(H,28,30)/t24-/m1/s1.
What are the key properties of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 92872473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).