1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-methyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-methyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-methyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F522-0333 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-methyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C23 H29 N5 O3 |
| Smiles: | Cn1cc(cn1)C1CCN(CC=1)CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1717 |
| logD: | 0.9801 |
| logSw: | -2.0318 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.557 |
| InChI Key: | IQKJVNZXQWKXFQ-UHFFFAOYSA-N |