3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide

C17H26N2O — CID 107067400

IUPAC3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
SMILESCCC(NC(=O)C1NCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-4-15(14-9-7-12(2)8-10-14)19-17(20)16-13(3)6-5-11-18-16/h7-10,13,15-16,18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyXQLGABAXYRCEPE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds4

About 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide

3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide (PubChem CID 107067400) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
PubChem CID107067400
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
SMILESCCC(NC(=O)C1NCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-4-15(14-9-7-12(2)8-10-14)19-17(20)16-13(3)6-5-11-18-16/h7-10,13,15-16,18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyXQLGABAXYRCEPE-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 64824324
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419
3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 107068069
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide (CID 107067400) is 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide is CCC(NC(=O)C1NCCCC1C)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide?
The InChIKey is XQLGABAXYRCEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-15(14-9-7-12(2)8-10-14)19-17(20)16-13(3)6-5-11-18-16/h7-10,13,15-16,18H,4-6,11H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide?
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 107067400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).