N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride

C13H18Cl2N2O — CID 119262099

IUPACN-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCCN2)cc1Cl.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-5-6-10(8-11(9)14)16-13(17)12-4-2-3-7-15-12;/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17);1H
InChIKeyGSPIVTIJEMZYSP-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.15
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride

N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119262099) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119262099
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCCN2)cc1Cl.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-5-6-10(8-11(9)14)16-13(17)12-4-2-3-7-15-12;/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17);1H
InChIKeyGSPIVTIJEMZYSP-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride 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

N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride (CID 119262099) is N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCCCN2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is GSPIVTIJEMZYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c1-9-5-6-10(8-11(9)14)16-13(17)12-4-2-3-7-15-12;/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride?
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 3.15, 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)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119262099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).