6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile

C18H19N3O — CID 82146980

IUPAC6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2C2CCNCC2)cc1
InChIInChI=1S/C18H19N3O/c1-13-2-4-14(5-3-13)17-7-6-15(12-19)18(22)21(17)16-8-10-20-11-9-16/h2-7,16,20H,8-11H2,1H3
InChIKeyVXZZIQZQSCMEPI-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.62
Rot. Bonds2

About 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile

6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 82146980) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID82146980
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2C2CCNCC2)cc1
InChIInChI=1S/C18H19N3O/c1-13-2-4-14(5-3-13)17-7-6-15(12-19)18(22)21(17)16-8-10-20-11-9-16/h2-7,16,20H,8-11H2,1H3
InChIKeyVXZZIQZQSCMEPI-UHFFFAOYSA-N
XLogP2.62
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile (CID 82146980) is 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile is Cc1ccc(-c2ccc(C#N)c(=O)n2C2CCNCC2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is VXZZIQZQSCMEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-2-4-14(5-3-13)17-7-6-15(12-19)18(22)21(17)16-8-10-20-11-9-16/h2-7,16,20H,8-11H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile?
6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82146980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).