1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione

C10H13N3O3 — CID 61349224

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
SMILESO=C(CN1C(=O)C=CC1=O)N1CCNCC1
InChIInChI=1S/C10H13N3O3/c14-8-1-2-9(15)13(8)7-10(16)12-5-3-11-4-6-12/h1-2,11H,3-7H2
InChIKeyOGDSQNFBFAEIGL-UHFFFAOYSA-N
MW223.23 g/mol
LogP-1.66
Rot. Bonds2

About 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione

1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione (PubChem CID 61349224) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
PubChem CID61349224
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
SMILESO=C(CN1C(=O)C=CC1=O)N1CCNCC1
InChIInChI=1S/C10H13N3O3/c14-8-1-2-9(15)13(8)7-10(16)12-5-3-11-4-6-12/h1-2,11H,3-7H2
InChIKeyOGDSQNFBFAEIGL-UHFFFAOYSA-N
XLogP-1.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
CID 24696851
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
6-(2,5-dioxopyrrol-1-yl)-N-(6-oxo-6-piperazin-1-ylhexyl)hexanamide
CID 176889453
2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303544
1-piperazin-1-yl-2-pyrrol-1-ylethanone
CID 61350188
2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119417879
1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
CID 119403829
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one
CID 80581115
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione (CID 61349224) is 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione is O=C(CN1C(=O)C=CC1=O)N1CCNCC1.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione?
The InChIKey is OGDSQNFBFAEIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-1-2-9(15)13(8)7-10(16)12-5-3-11-4-6-12/h1-2,11H,3-7H2.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione?
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione has a molecular weight of 223.23 g/mol, XLogP of -1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 61349224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).