Methyl(3r,4s)-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylate
Basic information
- Standard SMILES
COC(=O)[C@H]1CNCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C)CC1- InChIKey
YBFJRBLJAWKLSR-IRXDYDNUSA-N- Molecular formula
- C20H26N4O3
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- Methyl(3r,4s)-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylate
- IUPAC
- methyl (3R,4S)-4-[4-(4-cyano-2-methylphenyl)piperazine-1-carbonyl]piperidine-3-carboxylate
Names & synonyms
SCHEMBL2174067YBFJRBLJAWKLSR-IRXDYDNUSA-Nmethyl(3r,4s)-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylatemethyl (3r,4s)-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylate
Database identifiers
- PubChem CID
- 67304591
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 593
Related reactions
4 records
Compound notes
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