1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione

C10H14N4O3 — CID 121428720

IUPAC1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
SMILESNN1CCN(C(=O)CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C10H14N4O3/c11-13-5-3-12(4-6-13)10(17)7-14-8(15)1-2-9(14)16/h1-2H,3-7,11H2
InChIKeyDNJPCRPIHJVMIH-UHFFFAOYSA-N
MW238.25 g/mol
LogP-2.07
Rot. Bonds2

About 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione

1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione (PubChem CID 121428720) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
PubChem CID121428720
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
SMILESNN1CCN(C(=O)CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C10H14N4O3/c11-13-5-3-12(4-6-13)10(17)7-14-8(15)1-2-9(14)16/h1-2H,3-7,11H2
InChIKeyDNJPCRPIHJVMIH-UHFFFAOYSA-N
XLogP-2.07
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
CID 129085707
1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634733
2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66085880
2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 82511010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione (CID 121428720) is 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione is NN1CCN(C(=O)CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
The InChIKey is DNJPCRPIHJVMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-13-5-3-12(4-6-13)10(17)7-14-8(15)1-2-9(14)16/h1-2H,3-7,11H2.
What are the key properties of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione has a molecular weight of 238.25 g/mol, XLogP of -2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione is sourced from PubChem (CID 121428720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).