1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide

C14H17N3O — CID 107926802

IUPAC1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(N)=O)C2)c(C#N)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-13(12(7-10)8-15)17-6-2-3-11(9-17)14(16)18/h4-5,7,11H,2-3,6,9H2,1H3,(H2,16,18)
InChIKeyMKFHPOXJNOKPSX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.57
Rot. Bonds2

About 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide

1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide (PubChem CID 107926802) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
PubChem CID107926802
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(N)=O)C2)c(C#N)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-13(12(7-10)8-15)17-6-2-3-11(9-17)14(16)18/h4-5,7,11H,2-3,6,9H2,1H3,(H2,16,18)
InChIKeyMKFHPOXJNOKPSX-UHFFFAOYSA-N
XLogP1.57
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyano-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 107926648
3-[1-(2-cyano-4-methylphenyl)piperidin-3-yl]butanoic acid
CID 107926723
1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
CID 104711327
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706
1-(2-cyano-4-methylphenyl)piperidine-2-carboxylic acid
CID 107926576
1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide
CID 114082229
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
2-(3-hydroxypiperidin-1-yl)-4-methylbenzonitrile
CID 62308362
2-(4-hydroxy-3-methylpiperidin-1-yl)-5-methylbenzonitrile
CID 107927910
1-(5-acetyl-2-cyanophenyl)pyrrolidine-3-carboxamide
CID 133443287
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylbenzonitrile
CID 107927637

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide (CID 107926802) is 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(N)=O)C2)c(C#N)c1.
What is the InChIKey of 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is MKFHPOXJNOKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-13(12(7-10)8-15)17-6-2-3-11(9-17)14(16)18/h4-5,7,11H,2-3,6,9H2,1H3,(H2,16,18).
What are the key properties of 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide?
1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 107926802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).