4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

C27H33FN2O2 — CID 21082552

IUPAC4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(C2(O)CCCCC2N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)c1
InChIInChI=1S/C27H33FN2O2/c1-19-5-4-6-21(17-19)27(32)12-3-2-7-24(27)30-15-13-26(14-16-30)23(18-29-25(26)31)20-8-10-22(28)11-9-20/h4-6,8-11,17,23-24,32H,2-3,7,12-16,18H2,1H3,(H,29,31)
InChIKeyUYYIDOZWUDXOBN-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.26
Rot. Bonds3

About 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 21082552) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID21082552
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(C2(O)CCCCC2N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)c1
InChIInChI=1S/C27H33FN2O2/c1-19-5-4-6-21(17-19)27(32)12-3-2-7-24(27)30-15-13-26(14-16-30)23(18-29-25(26)31)20-8-10-22(28)11-9-20/h4-6,8-11,17,23-24,32H,2-3,7,12-16,18H2,1H3,(H,29,31)
InChIKeyUYYIDOZWUDXOBN-UHFFFAOYSA-N
XLogP4.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 21082552) is 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cccc(C2(O)CCCCC2N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UYYIDOZWUDXOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-19-5-4-6-21(17-19)27(32)12-3-2-7-24(27)30-15-13-26(14-16-30)23(18-29-25(26)31)20-8-10-22(28)11-9-20/h4-6,8-11,17,23-24,32H,2-3,7,12-16,18H2,1H3,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 436.57 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[2-hydroxy-2-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 21082552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).