Basic information
- Standard SMILES
CC(=O)N1CCc2ccc(N(C(=O)C#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21- InChIKey
VNOWYLZHPMASRJ-UHFFFAOYSA-N- Molecular formula
- C31H31N3O2
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- 3-Phenyl-propynoic acid (1-acetyl-2,3-dihydro-1H-indol-6-yl)-(1-benzyl-piperidin-4-yl)-amide
- IUPAC
- N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-3-phenylprop-2-ynamide
Names & synonyms
CHEMBL4176413-Phenyl-propynoic acid (1-acetyl-2,3-dihydro-1H-indol-6-yl)-(1-benzyl-piperidin-4-yl)-amideSCHEMBL4839871VNOWYLZHPMASRJ-UHFFFAOYSA-NBDBM501405023-phenyl-propynoic acid(1-acetyl-2,3-dihydro-1h-indol-6-yl)-(1-benzyl-piperidin-4-yl)-amide
Database identifiers
- PubChem CID
- 11751925
- ChEMBL
CHEMBL417641
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 823
Related reactions
1 records
Compound notes
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