N-(1-Benzylpiperidin-4-yl)-5-{[2-({[(2-fluorophenyl)carbamoyl](propyl)amino}methyl)-1H-pyrrol-1-yl]methyl}furan-2-carboxamide
Basic information
- CAS
5974-04-9- Standard SMILES
CCCN(Cc1cccn1Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1)C(=O)Nc1ccccc1F- InChIKey
RRVQQQULPKBBIC-UHFFFAOYSA-N- Molecular formula
- C33H38FN5O3
- Average molar mass
- 571.7 g/mol
- Monoisotopic mass
- 571.29586825
Names & identifiers
- Preferred name
- N-(1-Benzylpiperidin-4-yl)-5-{[2-({[(2-fluorophenyl)carbamoyl](propyl)amino}methyl)-1H-pyrrol-1-yl]methyl}furan-2-carboxamide
- IUPAC
- N-(1-benzylpiperidin-4-yl)-5-[[2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
Names & synonyms
5974-04-9DTXSID50410150N-(1-Benzylpiperidin-4-yl)-5-{[2-({[(2-fluorophenyl)carbamoyl](propyl)amino}methyl)-1H-pyrrol-1-yl]methyl}furan-2-carboxamide
Database identifiers
- CAS
5974-04-9- PubChem CID
- 5209901
- DTXSID
DTXSID50410150
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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