(3-Nitrophenyl)(4-(2-pyrimidinyl)-1-piperazinyl)methanone
Basic information
- CAS
256417-27-3- Standard SMILES
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1- InChIKey
ZYJZKLFLABNUNG-UHFFFAOYSA-N- Molecular formula
- C15H15N5O3
- Average molar mass
- 313.31 g/mol
- Monoisotopic mass
- 313.11748936
Names & identifiers
- Preferred name
- (3-Nitrophenyl)(4-(2-pyrimidinyl)-1-piperazinyl)methanone
- IUPAC
- (3-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Names & synonyms
256417-27-3(3-Nitrophenyl)[4-(2-pyrimidinyl)-1-piperazinyl]methanone(3-Nitrophenyl)(4-(2-pyrimidinyl)-1-piperazinyl)methanoneRefChem:207772(3-nitrophenyl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanoneOprea1_239342MLS001181602CHEMBL1422268SCHEMBL12260748DTXSID501197344HMS2878N05STK216241
Show more names
AKOS001045636SMR000567273ST106664ST509298722-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidine3-nitrophenyl 4-pyrimidin-2-ylpiperazinyl ketoneZ26445123
Database identifiers
- CAS
256417-27-3- PubChem CID
- 727064
- DTXSID
DTXSID501197344- ChEMBL
CHEMBL1422268
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Solubility>47 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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