4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C18H23FN2O3S — CID 3266043

IUPAC4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O3S/c1-2-14-11-24-18(23)21(14)15-7-9-20(10-8-15)17(22)12-25-16-5-3-13(19)4-6-16/h3-6,14-15H,2,7-12H2,1H3
InChIKeyCIKWGHCSXTYDHL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.14
Rot. Bonds5

About 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3266043) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3266043
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O3S/c1-2-14-11-24-18(23)21(14)15-7-9-20(10-8-15)17(22)12-25-16-5-3-13(19)4-6-16/h3-6,14-15H,2,7-12H2,1H3
InChIKeyCIKWGHCSXTYDHL-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
8-[(4-Fluorophenyl)sulfonyl]-4-(2-methoxyethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one 1-oxide
CID 91920554
8-[3-(4-Fluorophenyl)sulfanylpropyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
CID 297076
2-(3,4-Difluorophenyl)sulfanyl-1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 53565272
1-((1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-((4-fluorophenyl)thio)ethan-1-one
CID 71795932
Ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 15389205
2-(4-Fluorophenyl)sulfanyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 22054661
(S)-4-[2-(4-fluoro-phenylsulfanyl)-ethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 67176628
Tert-butyl 4-[2-(4-fluorophenyl)sulfanylethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67176629
(4S)-3-[(2R,3S)-2-methyl-3-phenylsulfanylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13508715
(4S)-3-[(2S,3S)-2-methyl-3-phenylsulfanylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13508716
(4S)-3-[(2R,3R)-2-methyl-3-phenylsulfanylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13508717

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3266043) is 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCC1COC(=O)N1C1CCN(C(=O)CSc2ccc(F)cc2)CC1.
What is the InChIKey of 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is CIKWGHCSXTYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-2-14-11-24-18(23)21(14)15-7-9-20(10-8-15)17(22)12-25-16-5-3-13(19)4-6-16/h3-6,14-15H,2,7-12H2,1H3.
What are the key properties of 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3266043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).