(3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one

C22H19NO2 — CID 5351364

IUPAC(3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one
SMILESC=CC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1
InChIInChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+
InChIKeyFYXRGLSUYBQDPY-IWGRKNQJSA-N
MW329.40 g/mol
LogP3.75
Rot. Bonds3

About (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one

(3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one (PubChem CID 5351364) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one
PubChem CID5351364
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one
SMILESC=CC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1
InChIInChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+
InChIKeyFYXRGLSUYBQDPY-IWGRKNQJSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one?
The IUPAC name of (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one (CID 5351364) is (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one is C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1.
What is the InChIKey of (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one?
The InChIKey is FYXRGLSUYBQDPY-IWGRKNQJSA-N. The full InChI is InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+.
What are the key properties of (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one?
(3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one is sourced from PubChem (CID 5351364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).