N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide

C13H15ClN2O2 — CID 110682147

IUPACN-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-2-3-10(7-11(8)14)16-13(18)9-4-5-15-12(17)6-9/h2-3,7,9H,4-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyQCEXDFBCQACDNN-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.11
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide (PubChem CID 110682147) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
PubChem CID110682147
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-2-3-10(7-11(8)14)16-13(18)9-4-5-15-12(17)6-9/h2-3,7,9H,4-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyQCEXDFBCQACDNN-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982696

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide (CID 110682147) is N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCNC(=O)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide?
The InChIKey is QCEXDFBCQACDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-2-3-10(7-11(8)14)16-13(18)9-4-5-15-12(17)6-9/h2-3,7,9H,4-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 110682147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).