4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide

C17H26N2O — CID 106777885

IUPAC4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide
SMILESCCNC(=O)C1CC(Cc2cc(C)cc(C)c2)CCN1
InChIInChI=1S/C17H26N2O/c1-4-18-17(20)16-11-14(5-6-19-16)10-15-8-12(2)7-13(3)9-15/h7-9,14,16,19H,4-6,10-11H2,1-3H3,(H,18,20)
InChIKeyJUFWAWNPZPGUKN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.35
Rot. Bonds4

About 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide

4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide (PubChem CID 106777885) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide
PubChem CID106777885
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide
SMILESCCNC(=O)C1CC(Cc2cc(C)cc(C)c2)CCN1
InChIInChI=1S/C17H26N2O/c1-4-18-17(20)16-11-14(5-6-19-16)10-15-8-12(2)7-13(3)9-15/h7-9,14,16,19H,4-6,10-11H2,1-3H3,(H,18,20)
InChIKeyJUFWAWNPZPGUKN-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidine-2-carboxamide
CID 106778270
4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106781871
N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide
CID 106781844
4-(2-cyclopropylethyl)-N-ethylpiperidine-2-carboxamide
CID 106779884
N-ethyl-4-[(2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 106777776
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
4-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 114428095
4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 106778581
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide?
The IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide (CID 106777885) is 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide is CCNC(=O)C1CC(Cc2cc(C)cc(C)c2)CCN1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide?
The InChIKey is JUFWAWNPZPGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-18-17(20)16-11-14(5-6-19-16)10-15-8-12(2)7-13(3)9-15/h7-9,14,16,19H,4-6,10-11H2,1-3H3,(H,18,20).
What are the key properties of 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide?
4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 106777885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).