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

C17H25Cl2N3O2 — CID 119298623

IUPACN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(2)10-20-17(23)14-4-3-13(9-15(14)18)21-16(22)12-5-7-19-8-6-12;/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyWVBTUIBDJYCFFX-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.09
Rot. Bonds5

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

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119298623) 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-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119298623
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(2)10-20-17(23)14-4-3-13(9-15(14)18)21-16(22)12-5-7-19-8-6-12;/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyWVBTUIBDJYCFFX-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119740335
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 131951604
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119298623) is N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is CC(C)CNC(=O)c1ccc(NC(=O)C2CCNCC2)cc1Cl.Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is WVBTUIBDJYCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-11(2)10-20-17(23)14-4-3-13(9-15(14)18)21-16(22)12-5-7-19-8-6-12;/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 3.09, 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-4-carboxamide;hydrochloride is sourced from PubChem (CID 119298623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).