N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

C15H23ClN2O — CID 66770651

IUPACN-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(CNC(=O)C2CCCNC2)c1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-3-6-13(12(11)2)10-17-15(18)14-7-4-8-16-9-14;/h3,5-6,14,16H,4,7-10H2,1-2H3,(H,17,18);1H
InChIKeyXMVCQJUFGJKVEK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.34
Rot. Bonds3

About N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 66770651) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID66770651
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(CNC(=O)C2CCCNC2)c1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-3-6-13(12(11)2)10-17-15(18)14-7-4-8-16-9-14;/h3,5-6,14,16H,4,7-10H2,1-2H3,(H,17,18);1H
InChIKeyXMVCQJUFGJKVEK-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 103109325
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-[3-[(2-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 154901383
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119864927

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 66770651) is N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cc1cccc(CNC(=O)C2CCCNC2)c1C.Cl.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is XMVCQJUFGJKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-5-3-6-13(12(11)2)10-17-15(18)14-7-4-8-16-9-14;/h3,5-6,14,16H,4,7-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66770651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).