2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C12H13F3N4O2 — CID 166237089

IUPAC2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cccc(C(F)(F)F)n2)CC1=O
InChIInChI=1S/C12H13F3N4O2/c13-12(14,15)8-2-1-3-10(17-8)18-4-5-19(6-9(16)20)11(21)7-18/h1-3H,4-7H2,(H2,16,20)
InChIKeyJIMKDFBJBOJPJU-UHFFFAOYSA-N
MW302.26 g/mol
LogP0.23
Rot. Bonds3

About 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 166237089) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID166237089
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC Name2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cccc(C(F)(F)F)n2)CC1=O
InChIInChI=1S/C12H13F3N4O2/c13-12(14,15)8-2-1-3-10(17-8)18-4-5-19(6-9(16)20)11(21)7-18/h1-3H,4-7H2,(H2,16,20)
InChIKeyJIMKDFBJBOJPJU-UHFFFAOYSA-N
XLogP0.23
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 166237089) is 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2cccc(C(F)(F)F)n2)CC1=O.
What is the InChIKey of 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is JIMKDFBJBOJPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c13-12(14,15)8-2-1-3-10(17-8)18-4-5-19(6-9(16)20)11(21)7-18/h1-3H,4-7H2,(H2,16,20).
What are the key properties of 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 302.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 166237089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).