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

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Related Compounds

4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82150999
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150701
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 82151139
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 82105293
1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione
CID 163349752
1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82143926

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).