Basic information
- Standard SMILES
COC(=O)[C@H]1C[C@H](OCC(=O)OC(C)(C)C)CN(C(=O)OC)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1- InChIKey
BVCLBSVZUNROCN-ONTIZHBOSA-N- Molecular formula
- C26H37N3O8
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- Dimethyl (2s,3s,5s)-5-(2-tert-butoxy-2-oxoethoxy)-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate
- IUPAC
- dimethyl (2S,3S,5S)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-(4-phenylpiperazine-1-carbonyl)piperidine-1,3-dicarboxylate
Names & synonyms
SCHEMBL2171877BVCLBSVZUNROCN-ONTIZHBOSA-Ndimethyl (2s,3s,5s)-5-(2-tert-butoxy-2-oxoethoxy)-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylatedimethyl(2s,3s,5s)-5-(2-tert-butoxy-2-oxoethoxy)-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate
Database identifiers
- PubChem CID
- 67303979
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 815
Related reactions
2 records
Compound notes
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