(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide

C13H17ClN2O — CID 103808460

IUPAC(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C13H17ClN2O/c1-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRXTWXQJCFNNZFI-NSHDSACASA-N
MW252.74 g/mol
LogP2.73
Rot. Bonds2

About (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide

(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide (PubChem CID 103808460) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
PubChem CID103808460
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C13H17ClN2O/c1-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRXTWXQJCFNNZFI-NSHDSACASA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
CID 64563989
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
CID 131930794
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide (CID 103808460) is (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide is Cc1ccc(Cl)c(NC(=O)[C@@H]2CCCCN2)c1.
What is the InChIKey of (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide?
The InChIKey is RXTWXQJCFNNZFI-NSHDSACASA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide?
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 103808460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).