[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

C18H20F3NO6S — CID 41236492

IUPAC[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESC[C@@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)O1
InChIInChI=1S/C18H20F3NO6S/c1-11-9-15(17(24)27-11)28-16(23)12-5-7-22(8-6-12)29(25,26)14-4-2-3-13(10-14)18(19,20)21/h2-4,10-12,15H,5-9H2,1H3/t11-,15-/m1/s1
InChIKeyJYMQMAIGGKJKIQ-IAQYHMDHSA-N
MW435.42 g/mol
LogP2.35
Rot. Bonds4

About [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate (PubChem CID 41236492) has the molecular formula C18H20F3NO6S and a molecular weight of 435.42 g/mol. Its IUPAC name is [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
PubChem CID41236492
Molecular FormulaC18H20F3NO6S
Molecular Weight435.42 g/mol
Exact Mass435.10
IUPAC Name[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESC[C@@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)O1
InChIInChI=1S/C18H20F3NO6S/c1-11-9-15(17(24)27-11)28-16(23)12-5-7-22(8-6-12)29(25,26)14-4-2-3-13(10-14)18(19,20)21/h2-4,10-12,15H,5-9H2,1H3/t11-,15-/m1/s1
InChIKeyJYMQMAIGGKJKIQ-IAQYHMDHSA-N
XLogP2.35
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(5-methyl-2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 55378752
azepan-1-yl-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 26500737
cyclopropyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925087
(3-chlorophenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 46791128
(2-chlorophenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 46791129
(2-morpholin-4-yl-2-oxoethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 55319600
3-cyanopropyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 46675433
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 42974439
[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 7891737
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 55356993
(2-ethoxyphenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 31400592
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate (CID 41236492) is [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate is C[C@@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)O1.
What is the InChIKey of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate?
The InChIKey is JYMQMAIGGKJKIQ-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H20F3NO6S/c1-11-9-15(17(24)27-11)28-16(23)12-5-7-22(8-6-12)29(25,26)14-4-2-3-13(10-14)18(19,20)21/h2-4,10-12,15H,5-9H2,1H3/t11-,15-/m1/s1.
What are the key properties of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate?
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate has a molecular weight of 435.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 41236492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).