Fenspiride

C₁₅H₂₀N₂O₂ — CID 3344

About Fenspiride

Fenspiride (PubChem CID 3344) has the molecular formula C₁₅H₂₀N₂O₂ and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: Fenspiride
• PubChem CID: 3344
• Molecular Formula: C₁₅H₂₀N₂O₂
• Molecular Weight: 260.34 g/mol
• Exact Mass: 260.15
• IUPAC Name: 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: O=C1NCC2(CCN(CCc3ccccc3)CC2)O1
• InChI: InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
• InChIKey: FVNFBBAOMBJTST-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.34
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Fenspiride?

The IUPAC name of Fenspiride (CID 3344) is 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for Fenspiride?

The canonical SMILES for Fenspiride is O=C1NCC2(CCN(CCc3ccccc3)CC2)O1.

What is the InChIKey of Fenspiride?

The InChIKey is FVNFBBAOMBJTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18).

What are the key properties of Fenspiride?

Fenspiride has a molecular weight of 260.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Fenspiride is sourced from PubChem (CID 3344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3344 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1163 — approved-drug record (CC BY-SA 4.0)

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