1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide

C21H23ClN2O2 — CID 4876797

IUPAC1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C21H23ClN2O2/c1-14-5-10-19(12-15(14)2)23-20(25)17-4-3-11-24(13-17)21(26)16-6-8-18(22)9-7-16/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyMCDCNDFQNJRFDK-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.45
Rot. Bonds3

About 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 4876797) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
PubChem CID4876797
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C21H23ClN2O2/c1-14-5-10-19(12-15(14)2)23-20(25)17-4-3-11-24(13-17)21(26)16-6-8-18(22)9-7-16/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyMCDCNDFQNJRFDK-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
CID 94672087
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide (CID 4876797) is 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1C.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is MCDCNDFQNJRFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-5-10-19(12-15(14)2)23-20(25)17-4-3-11-24(13-17)21(26)16-6-8-18(22)9-7-16/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 4876797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).