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

C27H32F2N2O — CID 11464791

IUPAC4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCCC1)CC2
InChIInChI=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)
InChIKeyRDRVJQLAEXTGRZ-UHFFFAOYSA-N
MW438.56 g/mol
LogP5.51
Rot. Bonds3

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 Name4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11464791
Molecular FormulaC27H32F2N2O
Molecular Weight438.56 g/mol
Exact Mass438.25
IUPAC Name4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cycloheptyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCCC1)CC2
InChIInChI=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)
InChIKeyRDRVJQLAEXTGRZ-UHFFFAOYSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).