(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C15H22N2O — CID 81129550

IUPAC(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)15(18)14-7-4-8-16-10-14/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyDYOAFCOCYJOQLA-CQSZACIVSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds3

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

(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 81129550) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID81129550
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)15(18)14-7-4-8-16-10-14/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyDYOAFCOCYJOQLA-CQSZACIVSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 82132898
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119345501
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 81129550) is (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CN(C)C(=O)[C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DYOAFCOCYJOQLA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)15(18)14-7-4-8-16-10-14/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81129550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).