2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H14F3N3O2S — CID 86795587

IUPAC2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(c2cccs2)C(=O)C1)NCC(F)(F)F
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)8-16-9(19)6-17-3-4-18(10(20)7-17)11-2-1-5-21-11/h1-2,5H,3-4,6-8H2,(H,16,19)
InChIKeyLTFFXOOZGQMYDT-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.08
Rot. Bonds4

About 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86795587) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86795587
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC Name2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(c2cccs2)C(=O)C1)NCC(F)(F)F
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)8-16-9(19)6-17-3-4-18(10(20)7-17)11-2-1-5-21-11/h1-2,5H,3-4,6-8H2,(H,16,19)
InChIKeyLTFFXOOZGQMYDT-UHFFFAOYSA-N
XLogP1.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 86795587) is 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(c2cccs2)C(=O)C1)NCC(F)(F)F.
What is the InChIKey of 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LTFFXOOZGQMYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-16-9(19)6-17-3-4-18(10(20)7-17)11-2-1-5-21-11/h1-2,5H,3-4,6-8H2,(H,16,19).
What are the key properties of 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 321.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86795587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).