Basic information
- Standard SMILES
O=C(NC1CCN(c2ccccc2)CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1- InChIKey
CIHLCQQNJXQNIW-UHFFFAOYSA-N- Molecular formula
- C31H35N5O2
- Average molar mass
- 509.6 g/mol
Names & identifiers
- Preferred name
- N-(1-Phenylpiperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
- IUPAC
- N-(1-phenylpiperidin-4-yl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL3791467CHEMBL3647261CIHLCQQNJXQNIW-UHFFFAOYSA-NBDBM136317US8859534, 3N-(1-Phenylpiperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636723
- ChEMBL
CHEMBL3647261
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 745
Related reactions
3 records
Compound notes
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