1-(2,6-dimethylphenyl)piperidine-3-carboxamide

C14H20N2O — CID 117008259

IUPAC1-(2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-11(2)13(10)16-8-4-7-12(9-16)14(15)17/h3,5-6,12H,4,7-9H2,1-2H3,(H2,15,17)
InChIKeyJXSFALXTEPDNFR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.01
Rot. Bonds2

About 1-(2,6-dimethylphenyl)piperidine-3-carboxamide

1-(2,6-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 117008259) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)piperidine-3-carboxamide
PubChem CID117008259
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-11(2)13(10)16-8-4-7-12(9-16)14(15)17/h3,5-6,12H,4,7-9H2,1-2H3,(H2,15,17)
InChIKeyJXSFALXTEPDNFR-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
CID 107926802
1-(6-hydrazinyl-2-pyridinyl)piperidine-3-carboxamide
CID 80918435
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
CID 117011842

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,6-dimethylphenyl)piperidine-3-carboxamide (CID 117008259) is 1-(2,6-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dimethylphenyl)piperidine-3-carboxamide is Cc1cccc(C)c1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is JXSFALXTEPDNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-3-6-11(2)13(10)16-8-4-7-12(9-16)14(15)17/h3,5-6,12H,4,7-9H2,1-2H3,(H2,15,17).
What are the key properties of 1-(2,6-dimethylphenyl)piperidine-3-carboxamide?
1-(2,6-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 117008259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).