4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione

C8H10F3N3O3 — CID 79261626

IUPAC4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)CNCC(F)(F)F)CC(=O)N1
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)4-12-1-7(17)14-2-5(15)13-6(16)3-14/h12H,1-4H2,(H,13,15,16)
InChIKeyVPYZODSRLODEJQ-UHFFFAOYSA-N
MW253.18 g/mol
LogP-1.38
Rot. Bonds3

About 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione

4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione (PubChem CID 79261626) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
PubChem CID79261626
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)CNCC(F)(F)F)CC(=O)N1
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)4-12-1-7(17)14-2-5(15)13-6(16)3-14/h12H,1-4H2,(H,13,15,16)
InChIKeyVPYZODSRLODEJQ-UHFFFAOYSA-N
XLogP-1.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione 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-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione (CID 79261626) is 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione is O=C1CN(C(=O)CNCC(F)(F)F)CC(=O)N1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
The InChIKey is VPYZODSRLODEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3/c9-8(10,11)4-12-1-7(17)14-2-5(15)13-6(16)3-14/h12H,1-4H2,(H,13,15,16).
What are the key properties of 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione has a molecular weight of 253.18 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 79261626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).