1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C10H12F3N3O2 — CID 71792950

IUPAC1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C10H12F3N3O2/c1-6(17)16-4-2-7(3-5-16)8-14-15-9(18-8)10(11,12)13/h7H,2-5H2,1H3
InChIKeyXZYJWPGREIENHD-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.81
Rot. Bonds1

About 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 71792950) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID71792950
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C10H12F3N3O2/c1-6(17)16-4-2-7(3-5-16)8-14-15-9(18-8)10(11,12)13/h7H,2-5H2,1H3
InChIKeyXZYJWPGREIENHD-UHFFFAOYSA-N
XLogP1.81
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 71792950) is 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is XZYJWPGREIENHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6(17)16-4-2-7(3-5-16)8-14-15-9(18-8)10(11,12)13/h7H,2-5H2,1H3.
What are the key properties of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 263.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71792950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).