1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide

C21H22ClN3O3 — CID 71681887

IUPAC1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H22ClN3O3/c1-14(26)23-19-6-2-4-15(12-19)21(28)25-11-3-5-16(13-25)20(27)24-18-9-7-17(22)8-10-18/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyPNRGRWDNHZVHSO-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide

1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide (PubChem CID 71681887) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
PubChem CID71681887
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H22ClN3O3/c1-14(26)23-19-6-2-4-15(12-19)21(28)25-11-3-5-16(13-25)20(27)24-18-9-7-17(22)8-10-18/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyPNRGRWDNHZVHSO-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide
CID 153485736
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide (CID 71681887) is 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide is CC(=O)Nc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is PNRGRWDNHZVHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14(26)23-19-6-2-4-15(12-19)21(28)25-11-3-5-16(13-25)20(27)24-18-9-7-17(22)8-10-18/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 71681887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).