Basic information
- Standard SMILES
CCOC(=O)/C=C/c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc1- InChIKey
JYUTWEHRHOTBRR-VQHVLOKHSA-N- Molecular formula
- C20H29N3O4
- Average molar mass
- 375.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-({5-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-2-pyridyl}amino)-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-pyridinyl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4217550JYUTWEHRHOTBRR-VQHVLOKHSA-Ntert-butyl 4-({5-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-2-pyridyl}amino)-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 68960290
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
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