[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

C22H23FN2O5S — CID 46659331

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O5S/c23-18-7-9-19(10-8-18)31(28,29)24-12-3-5-17(14-24)22(27)30-15-21(26)25-13-11-16-4-1-2-6-20(16)25/h1-2,4,6-10,17H,3,5,11-15H2
InChIKeyABYKJSLJOZEMCK-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.36
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 46659331) has the molecular formula C22H23FN2O5S and a molecular weight of 446.50 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
PubChem CID46659331
Molecular FormulaC22H23FN2O5S
Molecular Weight446.50 g/mol
Exact Mass446.13
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O5S/c23-18-7-9-19(10-8-18)31(28,29)24-12-3-5-17(14-24)22(27)30-15-21(26)25-13-11-16-4-1-2-6-20(16)25/h1-2,4,6-10,17H,3,5,11-15H2
InChIKeyABYKJSLJOZEMCK-UHFFFAOYSA-N
XLogP2.36
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-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

N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168284
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 51648359
[2-(N-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659401
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
[2-(4-chlorophenyl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55427695
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 18226686
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2574061
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55427808
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
[2-(azepan-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739790

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate (CID 46659331) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is ABYKJSLJOZEMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S/c23-18-7-9-19(10-8-18)31(28,29)24-12-3-5-17(14-24)22(27)30-15-21(26)25-13-11-16-4-1-2-6-20(16)25/h1-2,4,6-10,17H,3,5,11-15H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 446.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 46659331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).