4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one

C27H32F2N2O — CID 11464791

About 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one

4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11464791) has the molecular formula C27H32F2N2O and a molecular weight of 438.56 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 11464791
• Molecular Formula: C27H32F2N2O
• Molecular Weight: 438.56 g/mol
• Exact Mass: 438.25
• IUPAC Name: 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one
• SMILES: O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCCC1)CC2
• InChI: InChI=1S/C27H32F2N2O/c28-22-9-5-20(6-10-22)24-19-30-25(32)26(24)15-17-31(18-16-26)27(13-3-1-2-4-14-27)21-7-11-23(29)12-8-21/h5-12,24H,1-4,13-19H2,(H,30,32)
• InChIKey: RDRVJQLAEXTGRZ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.56
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11464791) is 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCCC1)CC2.

What is the InChIKey of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is RDRVJQLAEXTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N2O/c28-22-9-5-20(6-10-22)24-19-30-25(32)26(24)15-17-31(18-16-26)27(13-3-1-2-4-14-27)21-7-11-23(29)12-8-21/h5-12,24H,1-4,13-19H2,(H,30,32).

What are the key properties of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one?

4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 438.56 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11464791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).