Basic information
- Standard SMILES
COC(=O)C1(C(=O)NCc2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
IKNQRSCBXCZSNT-UHFFFAOYSA-N- Molecular formula
- C20H27ClN2O5
- Average molar mass
- 410.9 g/mol
Names & identifiers
- Preferred name
- 1-Tert-butyl 4-methyl 4-(2-chlorobenzylcarbamoyl)piperidine-1,4-dicarboxylate
- IUPAC
- 1-O-tert-butyl 4-O-methyl 4-[(2-chlorophenyl)methylcarbamoyl]piperidine-1,4-dicarboxylate
Names & synonyms
SCHEMBL4847605IKNQRSCBXCZSNT-UHFFFAOYSA-N1-tert-butyl 4-methyl 4-(2-chlorobenzylcarbamoyl)piperidine-1,4-dicarboxylate
Database identifiers
- PubChem CID
- 59778564
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Related reactions
4 records
Compound notes
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