3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid

C11H14F3N3O5 — CID 174175856

IUPAC3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC(N2CCNCC2=O)C(=O)N1
InChIInChI=1S/C9H13N3O3.C2HF3O2/c13-7-2-1-6(9(15)11-7)12-4-3-10-5-8(12)14;3-2(4,5)1(6)7/h6,10H,1-5H2,(H,11,13,15);(H,6,7)
InChIKeyDPFFVCHTCLFJKP-UHFFFAOYSA-N
MW325.24 g/mol
LogP-1.14
Rot. Bonds1

About 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid

3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 174175856) has the molecular formula C11H14F3N3O5 and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID174175856
Molecular FormulaC11H14F3N3O5
Molecular Weight325.24 g/mol
Exact Mass325.09
IUPAC Name3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC(N2CCNCC2=O)C(=O)N1
InChIInChI=1S/C9H13N3O3.C2HF3O2/c13-7-2-1-6(9(15)11-7)12-4-3-10-5-8(12)14;3-2(4,5)1(6)7/h6,10H,1-5H2,(H,11,13,15);(H,6,7)
InChIKeyDPFFVCHTCLFJKP-UHFFFAOYSA-N
XLogP-1.14
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 174175856) is 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCC(N2CCNCC2=O)C(=O)N1.
What is the InChIKey of 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is DPFFVCHTCLFJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3.C2HF3O2/c13-7-2-1-6(9(15)11-7)12-4-3-10-5-8(12)14;3-2(4,5)1(6)7/h6,10H,1-5H2,(H,11,13,15);(H,6,7).
What are the key properties of 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid?
3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 325.24 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174175856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).