5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one

C23H27FN2O3 — CID 45224502

About 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one

5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one (PubChem CID 45224502) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one.

Molecular Properties

• Compound Name: 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one
• PubChem CID: 45224502
• Molecular Formula: C23H27FN2O3
• Molecular Weight: 398.48 g/mol
• Exact Mass: 398.20
• IUPAC Name: 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one
• SMILES: Cc1cc(=O)oc(C)c1C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1
• InChI: InChI=1S/C23H27FN2O3/c1-16-12-20(27)29-17(2)21(16)22(28)26-11-9-23(15-26)8-3-10-25(14-23)13-18-4-6-19(24)7-5-18/h4-7,12H,3,8-11,13-15H2,1-2H3
• InChIKey: QJOYBVZGRXIIME-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.48
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one?

The IUPAC name of 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one (CID 45224502) is 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one.

What is the SMILES notation for 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one?

The canonical SMILES for 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1.

What is the InChIKey of 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one?

The InChIKey is QJOYBVZGRXIIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16-12-20(27)29-17(2)21(16)22(28)26-11-9-23(15-26)8-3-10-25(14-23)13-18-4-6-19(24)7-5-18/h4-7,12H,3,8-11,13-15H2,1-2H3.

What are the key properties of 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one?

5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one has a molecular weight of 398.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one is sourced from PubChem (CID 45224502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).