3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione

C10H14F3N3O3 — CID 79261712

IUPAC3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H14F3N3O3/c1-9(2)8(19)15-6(17)4-16(9)7(18)3-14-5-10(11,12)13/h14H,3-5H2,1-2H3,(H,15,17,19)
InChIKeyUNERBJQSULXQEZ-UHFFFAOYSA-N
MW281.23 g/mol
LogP-0.60
Rot. Bonds3

About 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione

3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione (PubChem CID 79261712) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
PubChem CID79261712
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H14F3N3O3/c1-9(2)8(19)15-6(17)4-16(9)7(18)3-14-5-10(11,12)13/h14H,3-5H2,1-2H3,(H,15,17,19)
InChIKeyUNERBJQSULXQEZ-UHFFFAOYSA-N
XLogP-0.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-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 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione (CID 79261712) is 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)CNCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
The InChIKey is UNERBJQSULXQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-9(2)8(19)15-6(17)4-16(9)7(18)3-14-5-10(11,12)13/h14H,3-5H2,1-2H3,(H,15,17,19).
What are the key properties of 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione?
3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione has a molecular weight of 281.23 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 79261712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).