Cinepazide

C₂₂H₃₁N₃O₅ — CID 5282459

About Cinepazide

Cinepazide (PubChem CID 5282459) has the molecular formula C₂₂H₃₁N₃O₅ and a molecular weight of 417.51 g/mol. Its IUPAC name is (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: Cinepazide
• PubChem CID: 5282459
• Molecular Formula: C₂₂H₃₁N₃O₅
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.23
• IUPAC Name: (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• SMILES: COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
• InChI: InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+
• InChIKey: RCUDFXMNPQNBDU-VOTSOKGWSA-N
• XLogP: 1.49
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cinepazide?

The IUPAC name of Cinepazide (CID 5282459) is (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

What is the SMILES notation for Cinepazide?

The canonical SMILES for Cinepazide is COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.

What is the InChIKey of Cinepazide?

The InChIKey is RCUDFXMNPQNBDU-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+.

What are the key properties of Cinepazide?

Cinepazide has a molecular weight of 417.51 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Cinepazide is sourced from PubChem (CID 5282459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5282459 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 651 — approved-drug record (CC BY-SA 4.0)

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