4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile

C19H21N3O — CID 10149622

IUPAC4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(Cc2ccccc2)c(C#N)c(=O)n1N1CCCCC1
InChIInChI=1S/C19H21N3O/c1-15-12-17(13-16-8-4-2-5-9-16)18(14-20)19(23)22(15)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyVGDNZUKGMUJTBS-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.74
Rot. Bonds3

About 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile

4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 10149622) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID10149622
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(Cc2ccccc2)c(C#N)c(=O)n1N1CCCCC1
InChIInChI=1S/C19H21N3O/c1-15-12-17(13-16-8-4-2-5-9-16)18(14-20)19(23)22(15)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyVGDNZUKGMUJTBS-UHFFFAOYSA-N
XLogP2.74
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile (CID 10149622) is 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile is Cc1cc(Cc2ccccc2)c(C#N)c(=O)n1N1CCCCC1.
What is the InChIKey of 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is VGDNZUKGMUJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15-12-17(13-16-8-4-2-5-9-16)18(14-20)19(23)22(15)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3.
What are the key properties of 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile?
4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-methyl-2-oxo-1-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 10149622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).