1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid

C10H15F3N2O4 — CID 158319072

IUPAC1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CC(=O)NCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c1-6(2)4-10-5-7(11)9-3-8(10)12;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,9,11);(H,6,7)
InChIKeyGOPUIZLIOJDVKT-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.23
Rot. Bonds2

About 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid

1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 158319072) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID158319072
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CC(=O)NCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c1-6(2)4-10-5-7(11)9-3-8(10)12;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,9,11);(H,6,7)
InChIKeyGOPUIZLIOJDVKT-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-1-(piperazin-1-yl)propan-1-one; trifluoroacetic acid
CID 154577427
Methyl 2-(2-oxopiperazin-1-yl)acetate; trifluoroacetic acid
CID 165456636
1-Methylpiperazine-2,6-dione; trifluoroacetic acid
CID 75481233
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
1-Methylpiperazin-2-one trifluoroacetate
CID 46737077
1-Ethylpiperazin-2-one trifluoroacetate salt
CID 66941853
1-Butylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67085070
1-Propylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67085125
2-Piperazinone, 1-cyclobutyl-, 2,2,2-trifluoroacetate (1:1)
CID 67085243
Piperazin-2-one 2,2,2-trifluoroacetate
CID 67358098
1-Cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67363609

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid (CID 158319072) is 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid is CC(C)CN1CC(=O)NCC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is GOPUIZLIOJDVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2HF3O2/c1-6(2)4-10-5-7(11)9-3-8(10)12;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,9,11);(H,6,7).
What are the key properties of 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid?
1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158319072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).