2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

C27H32F3NO4S — CID 59447134

IUPAC2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)C(O)(c2ccccc2)C2CCC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H32F3NO4S/c1-25(2,36(34,35)23-13-7-12-22(18-23)27(28,29)30)19-14-16-31(17-15-19)24(32)26(33,21-10-6-11-21)20-8-4-3-5-9-20/h3-5,7-9,12-13,18-19,21,33H,6,10-11,14-17H2,1-2H3
InChIKeyYVRLDHISFLFRLT-UHFFFAOYSA-N
MW523.62 g/mol
LogP5.18
Rot. Bonds6

About 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (PubChem CID 59447134) has the molecular formula C27H32F3NO4S and a molecular weight of 523.62 g/mol. Its IUPAC name is 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
PubChem CID59447134
Molecular FormulaC27H32F3NO4S
Molecular Weight523.62 g/mol
Exact Mass523.20
IUPAC Name2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)C(O)(c2ccccc2)C2CCC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H32F3NO4S/c1-25(2,36(34,35)23-13-7-12-22(18-23)27(28,29)30)19-14-16-31(17-15-19)24(32)26(33,21-10-6-11-21)20-8-4-3-5-9-20/h3-5,7-9,12-13,18-19,21,33H,6,10-11,14-17H2,1-2H3
InChIKeyYVRLDHISFLFRLT-UHFFFAOYSA-N
XLogP5.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.62
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone 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 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (CID 59447134) is 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is CC(C)(C1CCN(C(=O)C(O)(c2ccccc2)C2CCC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The InChIKey is YVRLDHISFLFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3NO4S/c1-25(2,36(34,35)23-13-7-12-22(18-23)27(28,29)30)19-14-16-31(17-15-19)24(32)26(33,21-10-6-11-21)20-8-4-3-5-9-20/h3-5,7-9,12-13,18-19,21,33H,6,10-11,14-17H2,1-2H3.
What are the key properties of 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone has a molecular weight of 523.62 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 59447134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).