Basic information
- CAS
33497-71-1- Standard SMILES
O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1- InChIKey
YLGQIXNQPPIMQK-UHFFFAOYSA-N- Molecular formula
- C11H16N4O4
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.117155
Overview
4,4'-propane-1,3-diyldipiperazine-2,6-dione is a N-alkylpiperazine. It has a role as an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor.
Names & identifiers
- Preferred name
- 4,4'-Propane-1,3-diyldipiperazine-2,6-dione
- IUPAC
- 4-[3-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
Names & synonyms
4,4'-propane-1,3-diyldipiperazine-2,6-dione4-[3-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dioneICRF-16133497-71-1SCHEMBL9752550CHEBI:50231DTXSID4012465424,4'-(Propane-1,3-diyl)di(piperazine-2,6-dione)4,4\'-(Propane-1,2-diyl)bis(piperazine-2,6-dione)4,4a(2)-(1,3-Propanediyl)bis[2,6-piperazinedione]Q27121990
Database identifiers
- CAS
33497-71-1- PubChem CID
- 88893
- DTXSID
DTXSID401246542- ChEBI
CHEBI:50231- Nikkaji
- J692.081K
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…