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

C24H23NO4 — CID 5469428

IUPAC(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
SMILESC=CC(=O)N1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1
InChIInChI=1S/C24H23NO4/c1-4-23(26)25-15-19(13-17-5-9-21(28-2)10-6-17)24(27)20(16-25)14-18-7-11-22(29-3)12-8-18/h4-14H,1,15-16H2,2-3H3/b19-13+,20-14+
InChIKeyHUKFHMCTPWIOSR-IWGRKNQJSA-N
MW389.45 g/mol
LogP3.77
Rot. Bonds5

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

(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one (PubChem CID 5469428) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
PubChem CID5469428
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
SMILESC=CC(=O)N1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1
InChIInChI=1S/C24H23NO4/c1-4-23(26)25-15-19(13-17-5-9-21(28-2)10-6-17)24(27)20(16-25)14-18-7-11-22(29-3)12-8-18/h4-14H,1,15-16H2,2-3H3/b19-13+,20-14+
InChIKeyHUKFHMCTPWIOSR-IWGRKNQJSA-N
XLogP3.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
The IUPAC name of (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one (CID 5469428) is (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one is C=CC(=O)N1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1.
What is the InChIKey of (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
The InChIKey is HUKFHMCTPWIOSR-IWGRKNQJSA-N. The full InChI is InChI=1S/C24H23NO4/c1-4-23(26)25-15-19(13-17-5-9-21(28-2)10-6-17)24(27)20(16-25)14-18-7-11-22(29-3)12-8-18/h4-14H,1,15-16H2,2-3H3/b19-13+,20-14+.
What are the key properties of (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one?
(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one has a molecular weight of 389.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one is sourced from PubChem (CID 5469428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).