Basic information
- Standard SMILES
CCOC(=O)c1ccc(CCCN2CCC(C(C#N)N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1- InChIKey
ZWMLGMQFQDQIII-AJRFNQODSA-N- Molecular formula
- C28H35N3O2
- Average molar mass
- 445.6 g/mol
Names & identifiers
- Preferred name
- ethyl 4-(3-(4-(cyano(((1R,2S)-2-phenylcyclopropyl)amino)methyl)piperidin-1-yl)propyl)benzoate
- IUPAC
- ethyl 4-[3-[4-[cyano-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzoate
Names & synonyms
SCHEMBL15412463ZWMLGMQFQDQIII-AJRFNQODSA-Nethyl 4-(3-(4-(cyano(((1R,2S)-2-phenylcyclopropyl)amino)methyl)piperidin-1-yl)propyl)benzoate
Database identifiers
- PubChem CID
- 86708252
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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