1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione

C12H16N4O4 — CID 119403829

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N2CCNCC2)C1=O
InChIInChI=1S/C12H16N4O4/c1-2-5-15-10(18)11(19)16(12(15)20)8-9(17)14-6-3-13-4-7-14/h2,13H,1,3-8H2
InChIKeyKWUSTSXKMKBJNW-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.61
Rot. Bonds4

About 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione

1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione (PubChem CID 119403829) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
PubChem CID119403829
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N2CCNCC2)C1=O
InChIInChI=1S/C12H16N4O4/c1-2-5-15-10(18)11(19)16(12(15)20)8-9(17)14-6-3-13-4-7-14/h2,13H,1,3-8H2
InChIKeyKWUSTSXKMKBJNW-UHFFFAOYSA-N
XLogP-1.61
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
CID 119639366
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
CID 119469746
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 120888857
2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119417879
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 119437679
6-methyl-1-[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122113792
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303544
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione (CID 119403829) is 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione is C=CCN1C(=O)C(=O)N(CC(=O)N2CCNCC2)C1=O.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
The InChIKey is KWUSTSXKMKBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-2-5-15-10(18)11(19)16(12(15)20)8-9(17)14-6-3-13-4-7-14/h2,13H,1,3-8H2.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione has a molecular weight of 280.28 g/mol, XLogP of -1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione is sourced from PubChem (CID 119403829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).