1-(3,5-dimethylphenyl)piperidine-3-carboxamide

C14H20N2O — CID 117008258

IUPAC1-(3,5-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C14H20N2O/c1-10-6-11(2)8-13(7-10)16-5-3-4-12(9-16)14(15)17/h6-8,12H,3-5,9H2,1-2H3,(H2,15,17)
InChIKeyPWWSSCACEZBPIT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.01
Rot. Bonds2

About 1-(3,5-dimethylphenyl)piperidine-3-carboxamide

1-(3,5-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 117008258) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)piperidine-3-carboxamide
PubChem CID117008258
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3,5-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C14H20N2O/c1-10-6-11(2)8-13(7-10)16-5-3-4-12(9-16)14(15)17/h6-8,12H,3-5,9H2,1-2H3,(H2,15,17)
InChIKeyPWWSSCACEZBPIT-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-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
CID 80726633
1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide
CID 60988108
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
CID 107926802
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
1-(2,5-dimethylpyrazol-3-yl)piperidine-3-carboxamide
CID 67413079
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
CID 79603233

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)piperidine-3-carboxamide (CID 117008258) is 1-(3,5-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)piperidine-3-carboxamide is Cc1cc(C)cc(N2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is PWWSSCACEZBPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-11(2)8-13(7-10)16-5-3-4-12(9-16)14(15)17/h6-8,12H,3-5,9H2,1-2H3,(H2,15,17).
What are the key properties of 1-(3,5-dimethylphenyl)piperidine-3-carboxamide?
1-(3,5-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-(3,5-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 117008258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).