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

C19H23F3N2O3 — CID 45173930

IUPAC3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)16-5-1-3-14(11-16)6-7-15-4-2-8-23(12-15)17(25)13-24-9-10-27-18(24)26/h1,3,5,11,15H,2,4,6-10,12-13H2
InChIKeyJVOQJMJFULMCMP-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.33
Rot. Bonds5

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

3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 45173930) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID45173930
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)16-5-1-3-14(11-16)6-7-15-4-2-8-23(12-15)17(25)13-24-9-10-27-18(24)26/h1,3,5,11,15H,2,4,6-10,12-13H2
InChIKeyJVOQJMJFULMCMP-UHFFFAOYSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 45173930) is 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is JVOQJMJFULMCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)16-5-1-3-14(11-16)6-7-15-4-2-8-23(12-15)17(25)13-24-9-10-27-18(24)26/h1,3,5,11,15H,2,4,6-10,12-13H2.
What are the key properties of 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 384.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45173930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).