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

C17H21FN2O3S — CID 3838336

IUPAC3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O3S/c1-12-10-23-17(22)20(12)14-6-8-19(9-7-14)16(21)11-24-15-4-2-13(18)3-5-15/h2-5,12,14H,6-11H2,1H3
InChIKeyNLCZRWGSDAESIL-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.75
Rot. Bonds4

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

3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 3838336) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID3838336
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC Name3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O3S/c1-12-10-23-17(22)20(12)14-6-8-19(9-7-14)16(21)11-24-15-4-2-13(18)3-5-15/h2-5,12,14H,6-11H2,1H3
InChIKeyNLCZRWGSDAESIL-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one (CID 3838336) is 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one is CC1COC(=O)N1C1CCN(C(=O)CSc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is NLCZRWGSDAESIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-12-10-23-17(22)20(12)14-6-8-19(9-7-14)16(21)11-24-15-4-2-13(18)3-5-15/h2-5,12,14H,6-11H2,1H3.
What are the key properties of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3838336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).