N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide

C13H17ClN2O — CID 91609234

IUPACN-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-16(12-7-3-2-6-11(12)14)13(17)10-5-4-8-15-9-10/h2-3,6-7,10,15H,4-5,8-9H2,1H3
InChIKeyRRKNKSOJVFAHNH-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.30
Rot. Bonds2

About N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide

N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 91609234) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID91609234
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-16(12-7-3-2-6-11(12)14)13(17)10-5-4-8-15-9-10/h2-3,6-7,10,15H,4-5,8-9H2,1H3
InChIKeyRRKNKSOJVFAHNH-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1H-pyrrol-2-yl)piperidine-3-carboxamide
CID 115159891
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
CID 115159892
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide
CID 115159883
(3R)-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 81140173
(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
CID 81140301

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide (CID 91609234) is N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCNC1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is RRKNKSOJVFAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16(12-7-3-2-6-11(12)14)13(17)10-5-4-8-15-9-10/h2-3,6-7,10,15H,4-5,8-9H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide?
N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 91609234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).