Basic information
- Standard SMILES
CNc1ccc(Oc2ccnc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-]- InChIKey
MBSMQSWWLGMRKS-UHFFFAOYSA-N- Molecular formula
- C23H29N5O6
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl-4-(N-{4-[4-(methylamino)-3-nitrophenoxy]-2-pyridyl}carbamoyl)piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4423786MBSMQSWWLGMRKS-UHFFFAOYSA-Ntert-butyl-4-(N-{4-[4-(methylamino)-3-nitrophenoxy]-2-pyridyl}carbamoyl)piperidinecarboxylate
Database identifiers
- PubChem CID
- 69038249
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 716
Related reactions
2 records
Compound notes
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