3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

C15H23ClN2O — CID 119944291

IUPAC3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(CNC(=O)C2(C)CCCNC2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-5-3-6-13(9-12)10-17-14(18)15(2)7-4-8-16-11-15;/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H,17,18);1H
InChIKeyRTFODURDDOJHMD-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119944291) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119944291
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(CNC(=O)C2(C)CCCNC2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-5-3-6-13(9-12)10-17-14(18)15(2)7-4-8-16-11-15;/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H,17,18);1H
InChIKeyRTFODURDDOJHMD-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 56758247
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119944291) is 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cc1cccc(CNC(=O)C2(C)CCCNC2)c1.Cl.
What is the InChIKey of 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is RTFODURDDOJHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12-5-3-6-13(9-12)10-17-14(18)15(2)7-4-8-16-11-15;/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).