Basic information
- CAS
1287670-36-3- Standard SMILES
COC(=O)c1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]- InChIKey
OEUUDXBMYINAQM-UHFFFAOYSA-N- Molecular formula
- C15H22N4O6
- Average molar mass
- 354.36 g/mol
- Monoisotopic mass
- 354.15393443
Names & identifiers
- Preferred name
- tert-Butyl 4-(3-(methoxycarbonyl)-4-nitro-1h-pyrazol-1-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(3-methoxycarbonyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
Names & synonyms
tert-Butyl 4-(3-(methoxycarbonyl)-4-nitro-1h-pyrazol-1-yl)piperidine-1-carboxylate1287670-36-3MFCD23143170tert-butyl 4-(3-methoxycarbonyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-[3-(methoxycarbonyl)-4-nitro-1H-pyrazol-1-yl]-, 1,1-dimethylethyl estertert-Butyl 4-[3-(methoxycarbonyl)-4-nitro-1H-pyrazol-1-yl]piperidine-1-carboxylateSCHEMBL18131177DTXSID201112430H393611-Boc-4-(3-(methoxycarbonyl)-4-nitro-1h-pyrazol-1-yl)piperidinetert-Butyl4-(3-(methoxycarbonyl)-4-nitro-1h-pyrazol-1-yl)piperidine-1-carboxylate
Database identifiers
- CAS
1287670-36-3- PubChem CID
- 91659048
- DTXSID
DTXSID201112430
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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