[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C18H24FNO3S — CID 55312628

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCCC1CCCCN1C(=O)COC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H24FNO3S/c1-2-15-5-3-4-11-20(15)17(21)13-23-18(22)10-12-24-16-8-6-14(19)7-9-16/h6-9,15H,2-5,10-13H2,1H3
InChIKeyUXFDWHDZFFLSII-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.64
Rot. Bonds7

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 55312628) has the molecular formula C18H24FNO3S and a molecular weight of 353.46 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID55312628
Molecular FormulaC18H24FNO3S
Molecular Weight353.46 g/mol
Exact Mass353.15
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCCC1CCCCN1C(=O)COC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H24FNO3S/c1-2-15-5-3-4-11-20(15)17(21)13-23-18(22)10-12-24-16-8-6-14(19)7-9-16/h6-9,15H,2-5,10-13H2,1H3
InChIKeyUXFDWHDZFFLSII-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7651227
[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 25163570
2-Ethoxy-1-(4-((4-fluorophenyl)sulfonyl)piperidin-1-yl)ethanone
CID 73168108
[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 4129758
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 4618452
Ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 15389205
[(2S)-1-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl] N-tert-butylcarbamate
CID 90897806
4-Ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3266043
3-[1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3480252
Ethyl 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3682418
3-[1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 3688869
3-[1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
CID 3838336

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 55312628) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is CCC1CCCCN1C(=O)COC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is UXFDWHDZFFLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3S/c1-2-15-5-3-4-11-20(15)17(21)13-23-18(22)10-12-24-16-8-6-14(19)7-9-16/h6-9,15H,2-5,10-13H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 353.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 55312628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).