1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide

C19H19ClN2O2 — CID 17394642

IUPAC1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H19ClN2O2/c20-16-8-4-6-14(12-16)19(24)22-11-5-7-15(13-22)18(23)21-17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,21,23)
InChIKeyJPXFJIRIHYADTP-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.83
Rot. Bonds3

About 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide

1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 17394642) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID17394642
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H19ClN2O2/c20-16-8-4-6-14(12-16)19(24)22-11-5-7-15(13-22)18(23)21-17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,21,23)
InChIKeyJPXFJIRIHYADTP-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 50804284
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide
CID 153485736
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide (CID 17394642) is 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is JPXFJIRIHYADTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-8-4-6-14(12-16)19(24)22-11-5-7-15(13-22)18(23)21-17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,21,23).
What are the key properties of 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide?
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 17394642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).