(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide

C13H17ClN2O — CID 96590610

IUPAC(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O/c1-16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyINEYVXLBCQBXJP-SNVBAGLBSA-N
MW252.74 g/mol
LogP2.62
Rot. Bonds2

About (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide

(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 96590610) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
PubChem CID96590610
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O/c1-16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyINEYVXLBCQBXJP-SNVBAGLBSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide (CID 96590610) is (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide is CN1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is INEYVXLBCQBXJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide?
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 96590610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).