Basic information
- Standard SMILES
CCOc1cc(CN2CCC(NC(=O)c3ccc(C(C)(C)C(=O)OC)cc3)CC2)ccc1OC- InChIKey
PWBCRSPMLYIGOL-UHFFFAOYSA-N- Molecular formula
- C27H36N2O5
- Average molar mass
- 468.6 g/mol
Names & identifiers
- Preferred name
- 2-{4-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylcarbamoyl]-phenyl}-2-methyl-propionic acid methyl ester
- IUPAC
- methyl 2-[4-[[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]-2-methylpropanoate
Names & synonyms
SCHEMBL2957967PWBCRSPMLYIGOL-UHFFFAOYSA-N2-{4-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylcarbamoyl]-phenyl}-2-methyl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 68456987
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 653
Related reactions
2 records
Compound notes
Loading…