3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C18H23FN2O3 — CID 42213904

IUPAC3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O3/c19-16-6-2-1-5-15(16)8-7-14-4-3-9-20(12-14)17(22)13-21-10-11-24-18(21)23/h1-2,5-6,14H,3-4,7-13H2/t14-/m0/s1
InChIKeyJEMSDEJBSHRSPB-AWEZNQCLSA-N
MW334.39 g/mol
LogP2.45
Rot. Bonds5

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

3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 42213904) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID42213904
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O3/c19-16-6-2-1-5-15(16)8-7-14-4-3-9-20(12-14)17(22)13-21-10-11-24-18(21)23/h1-2,5-6,14H,3-4,7-13H2/t14-/m0/s1
InChIKeyJEMSDEJBSHRSPB-AWEZNQCLSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 45253107
3-[2-oxo-2-[3-(2-phenylethyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 45215381
1-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45237931
3-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 42190908
3-[2-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 90641288
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 26335077
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 25384762
2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 56861954
(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42099274
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 42213904) is 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCC[C@@H](CCc2ccccc2F)C1.
What is the InChIKey of 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is JEMSDEJBSHRSPB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-16-6-2-1-5-15(16)8-7-14-4-3-9-20(12-14)17(22)13-21-10-11-24-18(21)23/h1-2,5-6,14H,3-4,7-13H2/t14-/m0/s1.
What are the key properties of 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 334.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42213904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).