1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide

C17H18ClN3O — CID 174659372

IUPAC1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(-c3ccccc3)c(Cl)cn2)C1
InChIInChI=1S/C17H18ClN3O/c18-15-10-20-16(9-14(15)12-5-2-1-3-6-12)21-8-4-7-13(11-21)17(19)22/h1-3,5-6,9-10,13H,4,7-8,11H2,(H2,19,22)
InChIKeyJDTFCEVIQIXTBV-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.10
Rot. Bonds3

About 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide

1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 174659372) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID174659372
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(-c3ccccc3)c(Cl)cn2)C1
InChIInChI=1S/C17H18ClN3O/c18-15-10-20-16(9-14(15)12-5-2-1-3-6-12)21-8-4-7-13(11-21)17(19)22/h1-3,5-6,9-10,13H,4,7-8,11H2,(H2,19,22)
InChIKeyJDTFCEVIQIXTBV-UHFFFAOYSA-N
XLogP3.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 43196915
(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 45275778
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide
CID 71199862
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
CID 134210536
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95763836
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 169148065

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide (CID 174659372) is 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2cc(-c3ccccc3)c(Cl)cn2)C1.
What is the InChIKey of 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is JDTFCEVIQIXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-15-10-20-16(9-14(15)12-5-2-1-3-6-12)21-8-4-7-13(11-21)17(19)22/h1-3,5-6,9-10,13H,4,7-8,11H2,(H2,19,22).
What are the key properties of 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide?
1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 174659372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).