N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C15H22Cl2N2O — CID 119943839

IUPACN-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(C)CCCNC1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-11(12-6-3-4-7-13(12)16)18-14(19)15(2)8-5-9-17-10-15;/h3-4,6-7,11,17H,5,8-10H2,1-2H3,(H,18,19);1H
InChIKeyGWMBAKDFNASVEC-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.33
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119943839) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119943839
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(C)CCCNC1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-11(12-6-3-4-7-13(12)16)18-14(19)15(2)8-5-9-17-10-15;/h3-4,6-7,11,17H,5,8-10H2,1-2H3,(H,18,19);1H
InChIKeyGWMBAKDFNASVEC-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81375337
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
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N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
N-[1-(2-chlorophenyl)ethyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921408
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 119945380
3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 63135102
N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 134014985
N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944398

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119943839) is N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1(C)CCCNC1)c1ccccc1Cl.Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is GWMBAKDFNASVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-11(12-6-3-4-7-13(12)16)18-14(19)15(2)8-5-9-17-10-15;/h3-4,6-7,11,17H,5,8-10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119943839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).