Lyspafen

C₂₈H₂₈N₂O₂ — CID 25273607

About Lyspafen

Lyspafen (PubChem CID 25273607) has the molecular formula C₂₈H₂₈N₂O₂ and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate.

Molecular Properties

• Compound Name: Lyspafen
• PubChem CID: 25273607
• Molecular Formula: C₂₈H₂₈N₂O₂
• Molecular Weight: 424.54 g/mol
• Exact Mass: 424.22
• IUPAC Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate
• SMILES: N#CC(CC[NH+]1CCC(C(=O)[O-])(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)
• InChIKey: UFIVBRCCIRTJTN-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 68.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.54
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Lyspafen?

The IUPAC name of Lyspafen (CID 25273607) is 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate.

What is the SMILES notation for Lyspafen?

The canonical SMILES for Lyspafen is N#CC(CC[NH+]1CCC(C(=O)[O-])(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.

What is the InChIKey of Lyspafen?

The InChIKey is UFIVBRCCIRTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32).

What are the key properties of Lyspafen?

Lyspafen has a molecular weight of 424.54 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Lyspafen is sourced from PubChem (CID 25273607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25273607 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 878 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.