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

C13H18Cl2N2O — CID 119262654

IUPACN-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCNC2)c(Cl)c1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-4-5-12(11(14)7-9)16-13(17)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyIUOJCLWERKMAGI-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.01
Rot. Bonds2

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

N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119262654) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119262654
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCNC2)c(Cl)c1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-4-5-12(11(14)7-9)16-13(17)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyIUOJCLWERKMAGI-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-4-methylphenyl)piperidine-3-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-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119887720
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride (CID 119262654) is N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCCNC2)c(Cl)c1.Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is IUOJCLWERKMAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c1-9-4-5-12(11(14)7-9)16-13(17)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17);1H.
What are the key properties of N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride?
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119262654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).