N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

C17H25Cl2N3O2 — CID 119298613

IUPACN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CCCCN2)cc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(2)10-20-16(22)13-7-6-12(9-14(13)18)21-17(23)15-5-3-4-8-19-15;/h6-7,9,11,15,19H,3-5,8,10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyFYSWMOCLHNQAQK-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.23
Rot. Bonds5

About N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119298613) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119298613
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CCCCN2)cc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(2)10-20-16(22)13-7-6-12(9-14(13)18)21-17(23)15-5-3-4-8-19-15;/h6-7,9,11,15,19H,3-5,8,10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyFYSWMOCLHNQAQK-UHFFFAOYSA-N
XLogP3.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]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-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119286306
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119310041
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286589
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119298613) is N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is CC(C)CNC(=O)c1ccc(NC(=O)C2CCCCN2)cc1Cl.Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is FYSWMOCLHNQAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-11(2)10-20-16(22)13-7-6-12(9-14(13)18)21-17(23)15-5-3-4-8-19-15;/h6-7,9,11,15,19H,3-5,8,10H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119298613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).