3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C18H19F3N2O4 — CID 26315861

IUPAC3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)14-5-1-3-12(9-14)16(25)13-4-2-6-22(10-13)15(24)11-23-7-8-27-17(23)26/h1,3,5,9,13H,2,4,6-8,10-11H2/t13-/m1/s1
InChIKeyLRNLGFMTBYVIFQ-CYBMUJFWSA-N
MW384.35 g/mol
LogP2.58
Rot. Bonds4

About 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 26315861) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID26315861
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)14-5-1-3-12(9-14)16(25)13-4-2-6-22(10-13)15(24)11-23-7-8-27-17(23)26/h1,3,5,9,13H,2,4,6-8,10-11H2/t13-/m1/s1
InChIKeyLRNLGFMTBYVIFQ-CYBMUJFWSA-N
XLogP2.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-(2-Oxo-2-{3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl}ethyl)pyrrolidin-2-one
CID 16187597
1-(2-Oxo-2-{3-[4-(trifluoromethyl)benzoyl]-1-piperidinyl}ethyl)-2-pyrrolidinone
CID 16189176
1-(4-Oxo-4-{3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}butyl)-2-pyrrolidinone
CID 16192146
3-(2-Oxo-2-{3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}ethyl)-1,3-oxazolidin-2-one
CID 24793979
3-(2-{3-[4-(Methylthio)benzoyl]-1-piperidinyl}-2-oxoethyl)-1,3-oxazolidin-2-one
CID 24793820
[(2S,4S)-4-fluoro-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876060
1-[4-(2-Methoxyacetyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethane-1,2-dione
CID 56588492
[2-Oxo-2-[4-[2-oxo-2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]ethyl] acetate
CID 56588497
Tert-butyl 4-[2-(dimethylamino)ethyl-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 102441769
2-[4-(4-Fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 1437846
3-[2-Oxo-2-(3-{2-[3-(trifluoromethyl)phenyl]ethyl}-1-piperidinyl)ethyl]-1,3-oxazolidin-2-one
CID 45173930
ethyl N-({3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}carbonyl)glycinate
CID 45222897

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 26315861) is 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1.
What is the InChIKey of 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LRNLGFMTBYVIFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c19-18(20,21)14-5-1-3-12(9-14)16(25)13-4-2-6-22(10-13)15(24)11-23-7-8-27-17(23)26/h1,3,5,9,13H,2,4,6-8,10-11H2/t13-/m1/s1.
What are the key properties of 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 384.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 26315861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).