3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione

C11H15F3N2O4 — CID 66073632

IUPAC3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H15F3N2O4/c1-10(2)9(19)15-7(17)5-16(10)8(18)3-4-20-6-11(12,13)14/h3-6H2,1-2H3,(H,15,17,19)
InChIKeyCFKKCNKTVWITJP-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.22
Rot. Bonds4

About 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione

3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione (PubChem CID 66073632) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione
PubChem CID66073632
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H15F3N2O4/c1-10(2)9(19)15-7(17)5-16(10)8(18)3-4-20-6-11(12,13)14/h3-6H2,1-2H3,(H,15,17,19)
InChIKeyCFKKCNKTVWITJP-UHFFFAOYSA-N
XLogP0.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 113463021
4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122
3,3-dimethyl-4-[3-(propan-2-ylamino)propanoyl]piperazine-2,6-dione
CID 66074617
3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
CID 112603296
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 79810820
3,3-dimethyl-4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperazine-2,6-dione
CID 66075959
4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074983
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074178
7-[3-(2,2,2-trifluoroethoxy)propanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995893
4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione (CID 66073632) is 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)CCOCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione?
The InChIKey is CFKKCNKTVWITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c1-10(2)9(19)15-7(17)5-16(10)8(18)3-4-20-6-11(12,13)14/h3-6H2,1-2H3,(H,15,17,19).
What are the key properties of 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione?
3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione has a molecular weight of 296.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione is sourced from PubChem (CID 66073632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).