Cinepazet

C₂₀H₂₈N₂O₆ — CID 6434395

About Cinepazet

Cinepazet (PubChem CID 6434395) has the molecular formula C₂₀H₂₈N₂O₆ and a molecular weight of 392.45 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate.

Molecular Properties

• Compound Name: Cinepazet
• PubChem CID: 6434395
• Molecular Formula: C₂₀H₂₈N₂O₆
• Molecular Weight: 392.45 g/mol
• Exact Mass: 392.19
• IUPAC Name: ethyl 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate
• SMILES: CCOC(=O)CN1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1
• InChI: InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3/b7-6+
• InChIKey: XDUOTWNXVDBCDY-VOTSOKGWSA-N
• XLogP: 1.43
• TPSA: 77.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.45
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cinepazet?

The IUPAC name of Cinepazet (CID 6434395) is ethyl 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate.

What is the SMILES notation for Cinepazet?

The canonical SMILES for Cinepazet is CCOC(=O)CN1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1.

What is the InChIKey of Cinepazet?

The InChIKey is XDUOTWNXVDBCDY-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3/b7-6+.

What are the key properties of Cinepazet?

Cinepazet has a molecular weight of 392.45 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Cinepazet is sourced from PubChem (CID 6434395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6434395 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 650 — approved-drug record (CC BY-SA 4.0)

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