2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O3 — CID 66069622

IUPAC2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)NCC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-9(2)8(19)16(7(18)3-15-9)4-6(17)14-5-10(11,12)13/h15H,3-5H2,1-2H3,(H,14,17)
InChIKeyHJALDLNLKJYGIQ-UHFFFAOYSA-N
MW281.23 g/mol
LogP-0.60
Rot. Bonds3

About 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66069622) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66069622
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)NCC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-9(2)8(19)16(7(18)3-15-9)4-6(17)14-5-10(11,12)13/h15H,3-5H2,1-2H3,(H,14,17)
InChIKeyHJALDLNLKJYGIQ-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 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide 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 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 66069622) is 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC1(C)NCC(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HJALDLNLKJYGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-9(2)8(19)16(7(18)3-15-9)4-6(17)14-5-10(11,12)13/h15H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide 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 2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66069622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).