(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C15H22N2O — CID 92864096

IUPAC(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCNC1
InChIInChI=1S/C15H22N2O/c1-12-6-3-4-7-13(12)10-17-14(18)15(2)8-5-9-16-11-15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,18)/t15-/m1/s1
InChIKeyBUKDASVDVCJWES-OAHLLOKOSA-N
MW246.35 g/mol
LogP2.00
Rot. Bonds3

About (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92864096) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92864096
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCNC1
InChIInChI=1S/C15H22N2O/c1-12-6-3-4-7-13(12)10-17-14(18)15(2)8-5-9-16-11-15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,18)/t15-/m1/s1
InChIKeyBUKDASVDVCJWES-OAHLLOKOSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 86784301
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 92864096) is (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CNC(=O)[C@]1(C)CCCNC1.
What is the InChIKey of (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BUKDASVDVCJWES-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-6-3-4-7-13(12)10-17-14(18)15(2)8-5-9-16-11-15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,18)/t15-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92864096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).