(3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

C25H23N5O2 — CID 51727731

IUPAC(3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2-n2cnc3ccccc32)C1
InChIInChI=1S/C25H23N5O2/c31-24(28-19-9-2-1-3-10-19)18-8-7-15-29(16-18)25(32)20-11-6-14-26-23(20)30-17-27-21-12-4-5-13-22(21)30/h1-6,9-14,17-18H,7-8,15-16H2,(H,28,31)/t18-/m0/s1
InChIKeyHLZFNFZMJVMSHV-SFHVURJKSA-N
MW425.49 g/mol
LogP3.91
Rot. Bonds4

About (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

(3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 51727731) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
PubChem CID51727731
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name(3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2-n2cnc3ccccc32)C1
InChIInChI=1S/C25H23N5O2/c31-24(28-19-9-2-1-3-10-19)18-8-7-15-29(16-18)25(32)20-11-6-14-26-23(20)30-17-27-21-12-4-5-13-22(21)30/h1-6,9-14,17-18H,7-8,15-16H2,(H,28,31)/t18-/m0/s1
InChIKeyHLZFNFZMJVMSHV-SFHVURJKSA-N
XLogP3.91
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
1-[2-[(4-fluorophenyl)methoxy]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 16575119
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 51727731) is (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2-n2cnc3ccccc32)C1.
What is the InChIKey of (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is HLZFNFZMJVMSHV-SFHVURJKSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24(28-19-9-2-1-3-10-19)18-8-7-15-29(16-18)25(32)20-11-6-14-26-23(20)30-17-27-21-12-4-5-13-22(21)30/h1-6,9-14,17-18H,7-8,15-16H2,(H,28,31)/t18-/m0/s1.
What are the key properties of (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
(3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 51727731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).