2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C23H27FN2O2 — CID 45223915

About 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45223915) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45223915
• Molecular Formula: C23H27FN2O2
• Molecular Weight: 382.48 g/mol
• Exact Mass: 382.21
• IUPAC Name: 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1cccc(CN2CCCC3(CCN(Cc4ccc(F)cc4)C3)C2=O)c1
• InChI: InChI=1S/C23H27FN2O2/c1-28-21-5-2-4-19(14-21)16-26-12-3-10-23(22(26)27)11-13-25(17-23)15-18-6-8-20(24)9-7-18/h2,4-9,14H,3,10-13,15-17H2,1H3
• InChIKey: DNJKIIVTGBCFNZ-UHFFFAOYSA-N
• XLogP: 3.85
• 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	382.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45223915) is 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCCC3(CCN(Cc4ccc(F)cc4)C3)C2=O)c1.

What is the InChIKey of 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is DNJKIIVTGBCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-28-21-5-2-4-19(14-21)16-26-12-3-10-23(22(26)27)11-13-25(17-23)15-18-6-8-20(24)9-7-18/h2,4-9,14H,3,10-13,15-17H2,1H3.

What are the key properties of 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 382.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45223915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).