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

C16H17F3N2O3 — CID 110710688

IUPAC3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)12-3-1-11(2-4-12)14(22)20-7-5-13(6-8-20)21-9-10-24-15(21)23/h1-4,13H,5-10H2
InChIKeyFIJLHJLXGACCTH-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.76
Rot. Bonds2

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

3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110710688) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110710688
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)12-3-1-11(2-4-12)14(22)20-7-5-13(6-8-20)21-9-10-24-15(21)23/h1-4,13H,5-10H2
InChIKeyFIJLHJLXGACCTH-UHFFFAOYSA-N
XLogP2.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.76
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)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 110710688) is 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FIJLHJLXGACCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)12-3-1-11(2-4-12)14(22)20-7-5-13(6-8-20)21-9-10-24-15(21)23/h1-4,13H,5-10H2.
What are the key properties of 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 342.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).