3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C16H19F3N2O2 — CID 134791294

IUPAC3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)13-3-1-12(2-4-13)11-20-7-5-14(6-8-20)21-9-10-23-15(21)22/h1-4,14H,5-11H2
InChIKeyORICNNUISYBFHG-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.12
Rot. Bonds3

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

3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134791294) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134791294
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)13-3-1-12(2-4-13)11-20-7-5-14(6-8-20)21-9-10-23-15(21)22/h1-4,14H,5-11H2
InChIKeyORICNNUISYBFHG-UHFFFAOYSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134791294) is 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ORICNNUISYBFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)13-3-1-12(2-4-13)11-20-7-5-14(6-8-20)21-9-10-23-15(21)22/h1-4,14H,5-11H2.
What are the key properties of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 328.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134791294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).