(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one

C24H23NO2 — CID 24796898

IUPAC(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
SMILESC=CC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1
InChIInChI=1S/C24H23NO2/c1-4-23(26)25-15-21(13-19-9-5-17(2)6-10-19)24(27)22(16-25)14-20-11-7-18(3)8-12-20/h4-14H,1,15-16H2,2-3H3/b21-13+,22-14+
InChIKeyPBKYTQAWPQYYBI-JFMUQQRKSA-N
MW357.45 g/mol
LogP4.37
Rot. Bonds3

About (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one

(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one (PubChem CID 24796898) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
PubChem CID24796898
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
SMILESC=CC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1
InChIInChI=1S/C24H23NO2/c1-4-23(26)25-15-21(13-19-9-5-17(2)6-10-19)24(27)22(16-25)14-20-11-7-18(3)8-12-20/h4-14H,1,15-16H2,2-3H3/b21-13+,22-14+
InChIKeyPBKYTQAWPQYYBI-JFMUQQRKSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.37
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-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
The IUPAC name of (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one (CID 24796898) is (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one is C=CC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1.
What is the InChIKey of (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
The InChIKey is PBKYTQAWPQYYBI-JFMUQQRKSA-N. The full InChI is InChI=1S/C24H23NO2/c1-4-23(26)25-15-21(13-19-9-5-17(2)6-10-19)24(27)22(16-25)14-20-11-7-18(3)8-12-20/h4-14H,1,15-16H2,2-3H3/b21-13+,22-14+.
What are the key properties of (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one has a molecular weight of 357.45 g/mol, XLogP of 4.37, 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-bis[(4-methylphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one is sourced from PubChem (CID 24796898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).