4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one

C20H24N2O — CID 94757606

IUPAC4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(CC3CCNCC3)c(=O)c2)c1
InChIInChI=1S/C20H24N2O/c1-16-3-2-4-17(13-16)5-6-18-9-12-22(20(23)14-18)15-19-7-10-21-11-8-19/h2-6,9,12-14,19,21H,7-8,10-11,15H2,1H3/b6-5+
InChIKeyUNQRGMISCKECSS-AATRIKPKSA-N
MW308.43 g/mol
LogP3.33
Rot. Bonds4

About 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one

4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one (PubChem CID 94757606) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
PubChem CID94757606
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(CC3CCNCC3)c(=O)c2)c1
InChIInChI=1S/C20H24N2O/c1-16-3-2-4-17(13-16)5-6-18-9-12-22(20(23)14-18)15-19-7-10-21-11-8-19/h2-6,9,12-14,19,21H,7-8,10-11,15H2,1H3/b6-5+
InChIKeyUNQRGMISCKECSS-AATRIKPKSA-N
XLogP3.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one 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-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one (CID 94757606) is 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one is Cc1cccc(/C=C/c2ccn(CC3CCNCC3)c(=O)c2)c1.
What is the InChIKey of 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one?
The InChIKey is UNQRGMISCKECSS-AATRIKPKSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-3-2-4-17(13-16)5-6-18-9-12-22(20(23)14-18)15-19-7-10-21-11-8-19/h2-6,9,12-14,19,21H,7-8,10-11,15H2,1H3/b6-5+.
What are the key properties of 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one?
4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one has a molecular weight of 308.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 94757606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).