8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C32H34F6N4O5S — CID 123557862

IUPAC8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1cc(C(=O)N2CCC(O)(CF)CC2)cc(C)c1C=CS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C(F)(F)C(F)(F)F)c1)NC2=O
InChIInChI=1S/C32H34F6N4O5S/c1-20-16-23(27(43)41-11-7-29(45,19-33)8-12-41)17-21(2)25(20)6-15-48(46,47)42-13-9-30(10-14-42)28(44)39-26(40-30)22-4-3-5-24(18-22)31(34,35)32(36,37)38/h3-6,15-18,45H,7-14,19H2,1-2H3,(H,39,40,44)
InChIKeyQVLLLFKJAZCPCV-UHFFFAOYSA-N
MW700.70 g/mol
LogP4.61
Rot. Bonds7

About 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 123557862) has the molecular formula C32H34F6N4O5S and a molecular weight of 700.70 g/mol. Its IUPAC name is 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID123557862
Molecular FormulaC32H34F6N4O5S
Molecular Weight700.70 g/mol
Exact Mass700.22
IUPAC Name8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1cc(C(=O)N2CCC(O)(CF)CC2)cc(C)c1C=CS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C(F)(F)C(F)(F)F)c1)NC2=O
InChIInChI=1S/C32H34F6N4O5S/c1-20-16-23(27(43)41-11-7-29(45,19-33)8-12-41)17-21(2)25(20)6-15-48(46,47)42-13-9-30(10-14-42)28(44)39-26(40-30)22-4-3-5-24(18-22)31(34,35)32(36,37)38/h3-6,15-18,45H,7-14,19H2,1-2H3,(H,39,40,44)
InChIKeyQVLLLFKJAZCPCV-UHFFFAOYSA-N
XLogP4.61
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.70
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 123557862) is 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1cc(C(=O)N2CCC(O)(CF)CC2)cc(C)c1C=CS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C(F)(F)C(F)(F)F)c1)NC2=O.
What is the InChIKey of 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is QVLLLFKJAZCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F6N4O5S/c1-20-16-23(27(43)41-11-7-29(45,19-33)8-12-41)17-21(2)25(20)6-15-48(46,47)42-13-9-30(10-14-42)28(44)39-26(40-30)22-4-3-5-24(18-22)31(34,35)32(36,37)38/h3-6,15-18,45H,7-14,19H2,1-2H3,(H,39,40,44).
What are the key properties of 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 700.70 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 123557862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).