(3E,5E)-3,5-dibenzylidenepiperidin-4-one

C19H17NO — CID 5386428

IUPAC(3E,5E)-3,5-dibenzylidenepiperidin-4-one
SMILESO=C1/C(=C/c2ccccc2)CNC/C1=C\c1ccccc1
InChIInChI=1S/C19H17NO/c21-19-17(11-15-7-3-1-4-8-15)13-20-14-18(19)12-16-9-5-2-6-10-16/h1-12,20H,13-14H2/b17-11+,18-12+
InChIKeyKPVTZSGWKGUMLH-JYFOCSDGSA-N
MW275.35 g/mol
LogP3.33
Rot. Bonds2

About (3E,5E)-3,5-dibenzylidenepiperidin-4-one

(3E,5E)-3,5-dibenzylidenepiperidin-4-one (PubChem CID 5386428) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (3E,5E)-3,5-dibenzylidenepiperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-dibenzylidenepiperidin-4-one
PubChem CID5386428
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(3E,5E)-3,5-dibenzylidenepiperidin-4-one
SMILESO=C1/C(=C/c2ccccc2)CNC/C1=C\c1ccccc1
InChIInChI=1S/C19H17NO/c21-19-17(11-15-7-3-1-4-8-15)13-20-14-18(19)12-16-9-5-2-6-10-16/h1-12,20H,13-14H2/b17-11+,18-12+
InChIKeyKPVTZSGWKGUMLH-JYFOCSDGSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E,5E)-3,5-dibenzylidenepiperidin-4-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 (3E,5E)-3,5-dibenzylidenepiperidin-4-one?
The IUPAC name of (3E,5E)-3,5-dibenzylidenepiperidin-4-one (CID 5386428) is (3E,5E)-3,5-dibenzylidenepiperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-dibenzylidenepiperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-dibenzylidenepiperidin-4-one is O=C1/C(=C/c2ccccc2)CNC/C1=C\c1ccccc1.
What is the InChIKey of (3E,5E)-3,5-dibenzylidenepiperidin-4-one?
The InChIKey is KPVTZSGWKGUMLH-JYFOCSDGSA-N. The full InChI is InChI=1S/C19H17NO/c21-19-17(11-15-7-3-1-4-8-15)13-20-14-18(19)12-16-9-5-2-6-10-16/h1-12,20H,13-14H2/b17-11+,18-12+.
What are the key properties of (3E,5E)-3,5-dibenzylidenepiperidin-4-one?
(3E,5E)-3,5-dibenzylidenepiperidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-dibenzylidenepiperidin-4-one is sourced from PubChem (CID 5386428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).