4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one

C10H10F3N3O2 — CID 133488279

IUPAC4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ccc(OC(F)(F)F)cn2)CCN1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)18-7-1-2-8(15-5-7)16-4-3-14-9(17)6-16/h1-2,5H,3-4,6H2,(H,14,17)
InChIKeyXUHIHTNEHOLKLE-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.92
Rot. Bonds2

About 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one

4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one (PubChem CID 133488279) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
PubChem CID133488279
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ccc(OC(F)(F)F)cn2)CCN1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)18-7-1-2-8(15-5-7)16-4-3-14-9(17)6-16/h1-2,5H,3-4,6H2,(H,14,17)
InChIKeyXUHIHTNEHOLKLE-UHFFFAOYSA-N
XLogP0.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one (CID 133488279) is 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one is O=C1CN(c2ccc(OC(F)(F)F)cn2)CCN1.
What is the InChIKey of 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one?
The InChIKey is XUHIHTNEHOLKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)18-7-1-2-8(15-5-7)16-4-3-14-9(17)6-16/h1-2,5H,3-4,6H2,(H,14,17).
What are the key properties of 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one?
4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one has a molecular weight of 261.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 133488279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).