Basic information
- Standard SMILES
CCOC(=O)C#Cc1cc(Cl)ccc1C1(C(=O)OCC)CCN(Cc2ccccc2)CC1- InChIKey
SRIIXMHLDACHHG-UHFFFAOYSA-N- Molecular formula
- C26H28ClNO4
- Average molar mass
- 454 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-benzyl-4-(4-chloro-2-(3-ethoxy-3-oxoprop-1-ynyl)phenyl)piperidine-4-carboxylate
- IUPAC
- ethyl 1-benzyl-4-[4-chloro-2-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]piperidine-4-carboxylate
Names & synonyms
SCHEMBL1627087SRIIXMHLDACHHG-UHFFFAOYSA-Nethyl 1-benzyl-4-(4-chloro-2-(3-ethoxy-3-oxoprop-1-ynyl)phenyl)piperidine-4-carboxylate
Database identifiers
- PubChem CID
- 67099889
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
5 records
Compound notes
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