Basic information
- Standard SMILES
CCOc1cc(CN2CCC(NC(=O)c3ccnc(N4CCOCC4)c3)CC2)ccc1Cl- InChIKey
UUOBUNYFRXFQKV-UHFFFAOYSA-N- Molecular formula
- C24H31ClN4O3
- Average molar mass
- 459 g/mol
- Monoisotopic mass
- 458.2084686
Names & identifiers
- Preferred name
- N-[1-(4-Chloro-3-ethoxy-benzyl)piperidin-4-yl]-2-morpholin-4-yl-isonicotinamide
- IUPAC
- N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyridine-4-carboxamide
Names & synonyms
SCHEMBL2960772UUOBUNYFRXFQKV-UHFFFAOYSA-NN-[1-(4-Chloro-3-ethoxy-benzyl)piperidin-4-yl]-2-morpholin-4-yl-isonicotinamide
Database identifiers
- PubChem CID
- 68458047
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
Loading…