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

C47H55F5N4O4 — CID 158341406

IUPAC4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1CCCCC1N1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1.O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C27H30F4N2O2.C20H25FN2O2/c28-21-10-4-18(5-11-21)22-17-32-24(34)25(22)13-15-33(16-14-25)23-3-1-2-12-26(23,35)19-6-8-20(9-7-19)27(29,30)31;21-15-7-5-14(6-8-15)16-13-22-19(25)20(16)9-11-23(12-10-20)17-3-1-2-4-18(17)24/h4-11,22-23,35H,1-3,12-17H2,(H,32,34);5-8,16-17H,1-4,9-13H2,(H,22,25)
InChIKeyGRFANGGFOMOTGV-UHFFFAOYSA-N
MW834.97 g/mol
LogP7.60
Rot. Bonds5

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

4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 158341406) has the molecular formula C47H55F5N4O4 and a molecular weight of 834.97 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID158341406
Molecular FormulaC47H55F5N4O4
Molecular Weight834.97 g/mol
Exact Mass834.41
IUPAC Name4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1CCCCC1N1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1.O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C27H30F4N2O2.C20H25FN2O2/c28-21-10-4-18(5-11-21)22-17-32-24(34)25(22)13-15-33(16-14-25)23-3-1-2-12-26(23,35)19-6-8-20(9-7-19)27(29,30)31;21-15-7-5-14(6-8-15)16-13-22-19(25)20(16)9-11-23(12-10-20)17-3-1-2-4-18(17)24/h4-11,22-23,35H,1-3,12-17H2,(H,32,34);5-8,16-17H,1-4,9-13H2,(H,22,25)
InChIKeyGRFANGGFOMOTGV-UHFFFAOYSA-N
XLogP7.60
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.97
LogP ≤ 57.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 11669379
4-phenyl-8-[1-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride
CID 45263437
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
(4R)-4-(3,4-dichlorophenyl)-8-[2-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66918165
8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 11441561
4-(4-fluorophenyl)-8-[1-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11452904
4-(4-fluorophenyl)-8-(1-thiophen-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 11269915
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one
CID 123813920
8-[4-(trifluoromethyl)phenyl]azocan-2-one
CID 165498935
N-[2-[4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 50902618
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 158341406) is 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1CCCCC1N1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1.O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GRFANGGFOMOTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4N2O2.C20H25FN2O2/c28-21-10-4-18(5-11-21)22-17-32-24(34)25(22)13-15-33(16-14-25)23-3-1-2-12-26(23,35)19-6-8-20(9-7-19)27(29,30)31;21-15-7-5-14(6-8-15)16-13-22-19(25)20(16)9-11-23(12-10-20)17-3-1-2-4-18(17)24/h4-11,22-23,35H,1-3,12-17H2,(H,32,34);5-8,16-17H,1-4,9-13H2,(H,22,25).
What are the key properties of 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 834.97 g/mol, XLogP of 7.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(2-oxocyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 158341406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).