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

C16H24N2O — CID 79749345

IUPAC3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1(C)CCCNC1
InChIInChI=1S/C16H24N2O/c1-13-6-3-4-7-14(13)8-11-18-15(19)16(2)9-5-10-17-12-16/h3-4,6-7,17H,5,8-12H2,1-2H3,(H,18,19)
InChIKeyWNKBQHXMBMRWQU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds4

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

3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 79749345) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID79749345
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1(C)CCCNC1
InChIInChI=1S/C16H24N2O/c1-13-6-3-4-7-14(13)8-11-18-15(19)16(2)9-5-10-17-12-16/h3-4,6-7,17H,5,8-12H2,1-2H3,(H,18,19)
InChIKeyWNKBQHXMBMRWQU-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 79749001
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
CID 172894946
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide (CID 79749345) is 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccccc1CCNC(=O)C1(C)CCCNC1.
What is the InChIKey of 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is WNKBQHXMBMRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-3-4-7-14(13)8-11-18-15(19)16(2)9-5-10-17-12-16/h3-4,6-7,17H,5,8-12H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 79749345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).