(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide

C25H25N3O2 — CID 27745492

IUPAC(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1
InChIInChI=1S/C25H25N3O2/c29-24(27-21-13-5-2-6-14-21)19-10-9-17-28(18-19)25(30)22-15-7-8-16-23(22)26-20-11-3-1-4-12-20/h1-8,11-16,19,26H,9-10,17-18H2,(H,27,29)/t19-/m0/s1
InChIKeyPUKUKRSJLWIPPS-IBGZPJMESA-N
MW399.49 g/mol
LogP4.92
Rot. Bonds5

About (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide

(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 27745492) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID27745492
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1
InChIInChI=1S/C25H25N3O2/c29-24(27-21-13-5-2-6-14-21)19-10-9-17-28(18-19)25(30)22-15-7-8-16-23(22)26-20-11-3-1-4-12-20/h1-8,11-16,19,26H,9-10,17-18H2,(H,27,29)/t19-/m0/s1
InChIKeyPUKUKRSJLWIPPS-IBGZPJMESA-N
XLogP4.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
1-[2-[(4-fluorophenyl)methoxy]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 16575119
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(2-anilinophenyl)-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 25332419

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide (CID 27745492) is (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1.
What is the InChIKey of (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is PUKUKRSJLWIPPS-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(27-21-13-5-2-6-14-21)19-10-9-17-28(18-19)25(30)22-15-7-8-16-23(22)26-20-11-3-1-4-12-20/h1-8,11-16,19,26H,9-10,17-18H2,(H,27,29)/t19-/m0/s1.
What are the key properties of (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide?
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 27745492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).