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

C18H19F3N2O4 — CID 26315862

IUPAC3-[2-oxo-2-[(3S)-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-/m0/s1
InChIKeyLRNLGFMTBYVIFQ-ZDUSSCGKSA-N
MW384.35 g/mol
LogP2.58
Rot. Bonds4

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

3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 26315862) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID26315862
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name3-[2-oxo-2-[(3S)-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-/m0/s1
InChIKeyLRNLGFMTBYVIFQ-ZDUSSCGKSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 26315862) is 3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[(3S)-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-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LRNLGFMTBYVIFQ-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[(3S)-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-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 26315862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).