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

C26H30F2N2O — CID 11418847

IUPAC4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3cccc(F)c3)CCCCC1)CC2
InChIInChI=1S/C26H30F2N2O/c27-21-9-7-19(8-10-21)23-18-29-24(31)25(23)13-15-30(16-14-25)26(11-2-1-3-12-26)20-5-4-6-22(28)17-20/h4-10,17,23H,1-3,11-16,18H2,(H,29,31)
InChIKeyPOAHFMHBQCXHLU-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.12
Rot. Bonds3

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

4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11418847) has the molecular formula C26H30F2N2O and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11418847
Molecular FormulaC26H30F2N2O
Molecular Weight424.54 g/mol
Exact Mass424.23
IUPAC Name4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3cccc(F)c3)CCCCC1)CC2
InChIInChI=1S/C26H30F2N2O/c27-21-9-7-19(8-10-21)23-18-29-24(31)25(23)13-15-30(16-14-25)26(11-2-1-3-12-26)20-5-4-6-22(28)17-20/h4-10,17,23H,1-3,11-16,18H2,(H,29,31)
InChIKeyPOAHFMHBQCXHLU-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.12
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-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11418847) is 4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3cccc(F)c3)CCCCC1)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is POAHFMHBQCXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O/c27-21-9-7-19(8-10-21)23-18-29-24(31)25(23)13-15-30(16-14-25)26(11-2-1-3-12-26)20-5-4-6-22(28)17-20/h4-10,17,23H,1-3,11-16,18H2,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 424.54 g/mol, XLogP of 5.12, 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-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11418847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).