3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H25FN2O2 — CID 3077238

About 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077238) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 3077238
• Molecular Formula: C23H25FN2O2
• Molecular Weight: 380.46 g/mol
• Exact Mass: 380.19
• IUPAC Name: 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: C=C1N(Cc2ccccc2)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
• InChI: InChI=1S/C23H25FN2O2/c1-18-23(28-22(27)26(18)17-20-5-3-2-4-6-20)12-15-25(16-13-23)14-11-19-7-9-21(24)10-8-19/h2-10H,1,11-17H2
• InChIKey: IVWUSTQDHLGJNY-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.46
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077238) is 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(Cc2ccccc2)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2.

What is the InChIKey of 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is IVWUSTQDHLGJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-18-23(28-22(27)26(18)17-20-5-3-2-4-6-20)12-15-25(16-13-23)14-11-19-7-9-21(24)10-8-19/h2-10H,1,11-17H2.

What are the key properties of 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 380.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).