1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide

C21H23ClN2O2 — CID 50804284

IUPAC1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C21H23ClN2O2/c1-14-6-3-10-19(15(14)2)23-20(25)17-8-5-11-24(13-17)21(26)16-7-4-9-18(22)12-16/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,23,25)
InChIKeyIZSRGQRSOOPWPY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.45
Rot. Bonds3

About 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide

1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 50804284) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
PubChem CID50804284
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C21H23ClN2O2/c1-14-6-3-10-19(15(14)2)23-20(25)17-8-5-11-24(13-17)21(26)16-7-4-9-18(22)12-16/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,23,25)
InChIKeyIZSRGQRSOOPWPY-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

1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (CID 50804284) is 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(Cl)c3)C2)c1C.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is IZSRGQRSOOPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-6-3-10-19(15(14)2)23-20(25)17-8-5-11-24(13-17)21(26)16-7-4-9-18(22)12-16/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,23,25).
What are the key properties of 1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
1-(3-chlorobenzoyl)-N-(2,3-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-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 50804284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).