Methyl(3r,4s)-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylate

HCID 67304591

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

Related reactions

4 records

Linked notes

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