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

Related Compounds

1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one
CID 100663278
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
CID 133488124
(E)-3-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633917
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 167756362
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
4-[5-(hydroxymethyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 80628400
(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51953423

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).