Basic information
- Standard SMILES
CC(=O)N1CCC(NC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)CC1- InChIKey
WEEPNTJUAXCUFN-UHFFFAOYSA-N- Molecular formula
- C27H33N5O3
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- N-(1-Acetylpiperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
- IUPAC
- N-(1-acetylpiperidin-4-yl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL3787659CHEMBL3647264WEEPNTJUAXCUFN-UHFFFAOYSA-NBDBM136320US8859534, 6N-(1-Acetylpiperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636752
- ChEMBL
CHEMBL3647264
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 720
Related reactions
3 records
Compound notes
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