N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride

C13H17Cl3N2O — CID 140562387

IUPACN-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-17(10-2-3-11(14)12(15)8-10)13(18)9-4-6-16-7-5-9;/h2-3,8-9,16H,4-7H2,1H3;1H
InChIKeyNEGMKKJUHWRZNA-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.38
Rot. Bonds2

About N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride

N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 140562387) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID140562387
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC NameN-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-17(10-2-3-11(14)12(15)8-10)13(18)9-4-6-16-7-5-9;/h2-3,8-9,16H,4-7H2,1H3;1H
InChIKeyNEGMKKJUHWRZNA-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119300459
cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 69305559
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 62002271
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide
CID 12862707
N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159458
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119807515

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride (CID 140562387) is N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride is CN(C(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NEGMKKJUHWRZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c1-17(10-2-3-11(14)12(15)8-10)13(18)9-4-6-16-7-5-9;/h2-3,8-9,16H,4-7H2,1H3;1H.
What are the key properties of N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 140562387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).