1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

C12H16F3N3O4 — CID 155290039

IUPAC1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1C=CC(=O)N1CCN1CCNCC1
InChIInChI=1S/C10H15N3O2.C2HF3O2/c14-9-1-2-10(15)13(9)8-7-12-5-3-11-4-6-12;3-2(4,5)1(6)7/h1-2,11H,3-8H2;(H,6,7)
InChIKeyVFDFVTYSRXWMNS-UHFFFAOYSA-N
MW323.27 g/mol
LogP-0.55
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 155290039) has the molecular formula C12H16F3N3O4 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID155290039
Molecular FormulaC12H16F3N3O4
Molecular Weight323.27 g/mol
Exact Mass323.11
IUPAC Name1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1C=CC(=O)N1CCN1CCNCC1
InChIInChI=1S/C10H15N3O2.C2HF3O2/c14-9-1-2-10(15)13(9)8-7-12-5-3-11-4-6-12;3-2(4,5)1(6)7/h1-2,11H,3-8H2;(H,6,7)
InChIKeyVFDFVTYSRXWMNS-UHFFFAOYSA-N
XLogP-0.55
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
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 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (CID 155290039) is 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1C=CC(=O)N1CCN1CCNCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is VFDFVTYSRXWMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.C2HF3O2/c14-9-1-2-10(15)13(9)8-7-12-5-3-11-4-6-12;3-2(4,5)1(6)7/h1-2,11H,3-8H2;(H,6,7).
What are the key properties of 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 323.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155290039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).