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

C26H31FN2O — CID 11211923

IUPAC8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1CCCCC1c1ccc(F)cc1)CC2
InChIInChI=1S/C26H31FN2O/c27-21-12-10-19(11-13-21)22-8-4-5-9-24(22)29-16-14-26(15-17-29)23(18-28-25(26)30)20-6-2-1-3-7-20/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H,28,30)
InChIKeyVIUIHCNTOLSYJT-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.85
Rot. Bonds3

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

8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11211923) has the molecular formula C26H31FN2O and a molecular weight of 406.55 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11211923
Molecular FormulaC26H31FN2O
Molecular Weight406.55 g/mol
Exact Mass406.24
IUPAC Name8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1CCCCC1c1ccc(F)cc1)CC2
InChIInChI=1S/C26H31FN2O/c27-21-12-10-19(11-13-21)22-8-4-5-9-24(22)29-16-14-26(15-17-29)23(18-28-25(26)30)20-6-2-1-3-7-20/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H,28,30)
InChIKeyVIUIHCNTOLSYJT-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 11211923) is 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccccc2)C12CCN(C1CCCCC1c1ccc(F)cc1)CC2.
What is the InChIKey of 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VIUIHCNTOLSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O/c27-21-12-10-19(11-13-21)22-8-4-5-9-24(22)29-16-14-26(15-17-29)23(18-28-25(26)30)20-6-2-1-3-7-20/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H,28,30).
What are the key properties of 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 406.55 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11211923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).