2-(3-ethenylpiperidin-4-yl)-1-[3-(2-hydroxyethyl)-1H-indol-2-yl]ethan-1-one
AlkaPlorer ID: AK368583
Synonym: None
IUPAC Name: 2-[(3R,4S)-3-ethenylpiperidin-4-yl]-1-[3-(2-hydroxyethyl)-1H-indol-2-yl]ethanone
Structure
SMILES: C=C[C@H]1CNCC[C@H]1CC(=O)C1=C(CCO)C2=CC=CC=C2N1
InChI: InChI=1S/C19H24N2O2/c1-2-13-12-20-9-7-14(13)11-18(23)19-16(8-10-22)15-5-3-4-6-17(15)21-19/h2-6,13-14,20-22H,1,7-12H2/t13-,14-/m0/s1
InChIKey: DPFKPQCJYMDGGR-KBPBESRZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cinchona pubescens | Cinchona | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 312.41299999999995
TPSA？: 65.12
MolLogP？: 2.6872000000000007
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Monoamine oxidase A | IC50 | 1000000.0 | nM | 10.1021/acsmedchemlett.1c00310 |
| Homo sapiens | Monoamine oxidase B | IC50 | 412000.0 | nM | 10.1021/acsmedchemlett.1c00310 |