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

C27H33FN2O — CID 11464294

IUPAC4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)CCCCC2)c1
InChIInChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)
InChIKeyAHHHFIOUWFYJQZ-UHFFFAOYSA-N
MW420.57 g/mol
LogP5.29
Rot. Bonds3

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

4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11464294) has the molecular formula C27H33FN2O and a molecular weight of 420.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11464294
Molecular FormulaC27H33FN2O
Molecular Weight420.57 g/mol
Exact Mass420.26
IUPAC Name4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)CCCCC2)c1
InChIInChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)
InChIKeyAHHHFIOUWFYJQZ-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 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11464294) is 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)CCCCC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is AHHHFIOUWFYJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-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 4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11464294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).