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

C27H33FN2O — CID 11441561

IUPAC8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(C2CNC(=O)C23CCN(C2(c4ccc(F)cc4)CCCCC2)CC3)cc1
InChIInChI=1S/C27H33FN2O/c1-20-5-7-21(8-6-20)24-19-29-25(31)26(24)15-17-30(18-16-26)27(13-3-2-4-14-27)22-9-11-23(28)12-10-22/h5-12,24H,2-4,13-19H2,1H3,(H,29,31)
InChIKeyVCPCEUAIERDWJJ-UHFFFAOYSA-N
MW420.57 g/mol
LogP5.29
Rot. Bonds3

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

8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11441561) has the molecular formula C27H33FN2O and a molecular weight of 420.57 g/mol. Its IUPAC name is 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11441561
Molecular FormulaC27H33FN2O
Molecular Weight420.57 g/mol
Exact Mass420.26
IUPAC Name8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(C2CNC(=O)C23CCN(C2(c4ccc(F)cc4)CCCCC2)CC3)cc1
InChIInChI=1S/C27H33FN2O/c1-20-5-7-21(8-6-20)24-19-29-25(31)26(24)15-17-30(18-16-26)27(13-3-2-4-14-27)22-9-11-23(28)12-10-22/h5-12,24H,2-4,13-19H2,1H3,(H,29,31)
InChIKeyVCPCEUAIERDWJJ-UHFFFAOYSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 11441561) is 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one is Cc1ccc(C2CNC(=O)C23CCN(C2(c4ccc(F)cc4)CCCCC2)CC3)cc1.
What is the InChIKey of 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VCPCEUAIERDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O/c1-20-5-7-21(8-6-20)24-19-29-25(31)26(24)15-17-30(18-16-26)27(13-3-2-4-14-27)22-9-11-23(28)12-10-22/h5-12,24H,2-4,13-19H2,1H3,(H,29,31).
What are the key properties of 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 420.57 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11441561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).