Basic information
- Standard SMILES
CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1- InChIKey
XRKWOGZOQWSBCT-UHFFFAOYSA-N- Molecular formula
- C11H14N4O3
- Average molar mass
- 250.25 g/mol
Names & identifiers
- Preferred name
- 1-(4-(6-Nitropyridin-3-YL)piperazin-1-YL)ethan-1-one
- IUPAC
- 1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone
Names & synonyms
852225-20-8WAY-6478021-(4-(6-NITROPYRIDIN-3-YL)PIPERAZIN-1-YL)ETHAN-1-ONE1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]Ethanone1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone1-(4-(6-nitropyridin-3-yl)piperazin-1-yl)ethanone1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethan-1-oneorb1297764SCHEMBL4194105XRKWOGZOQWSBCT-UHFFFAOYSA-NEX-A6752AKOS008923205
Show more names
WAY-647802?DA-29903TS-10098CS-0276705T9971Z312125731-[4-(6-Nitro-pyridin-3-yl)-piperazin-1-yl]-ethanoneWAY-647802; WAY 647802; WAY647802
Database identifiers
- PubChem CID
- 4780686
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
8 records
Compound notes
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