N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide
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Basic information
- CAS
882073-23-6- Standard SMILES
O=C(C=Cc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1- InChIKey
QBXWXWIHOCXUHG-UHFFFAOYSA-N- Molecular formula
- C21H23BrN2O
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.09938
Names & identifiers
- Preferred name
- N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide
- IUPAC
- N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide
- English name
- N-(1-BENZYL-4-PIPERIDINYL)-3-(3-BROMOPHENYL)ACRYLAMIDE
- Molecular formula
- C21H23BrN2O
- Molecular weight
- 399.32
Names & synonyms
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamiden-(1-Benzylpiperidin-4-yl)-3-(3-bromophenyl)acrylamideAKOS034182973N-(1-BENZYL-4-PIPERIDINYL)-3-(3-BROMOPHENYL)ACRYLAMIDE(2E)-N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide2-Propenamide, 3-(3-bromophenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-
Database identifiers
- CAS
882073-23-6- PubChem CID
- 3343461
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 561.1 · 561.1±50.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 14.6 · 14.60±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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