Basic information
- Standard SMILES
CCOC(=O)CC(C(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccccn1- InChIKey
YDZHNCIHPFPAJT-UHFFFAOYSA-N- Molecular formula
- C27H34N2O6
- Average molar mass
- 482.6 g/mol
Names & identifiers
- Preferred name
- 4-[4-(3-Ethoxycarbonyl-2-pyridin-2-yl-propionyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-(4-ethoxy-4-oxo-2-pyridin-2-ylbutanoyl)phenoxy]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3618563YDZHNCIHPFPAJT-UHFFFAOYSA-N4-[4-(3-Ethoxycarbonyl-2-pyridin-2-yl-propionyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59652001
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 705
Related reactions
3 records
Compound notes
Loading…