General Information of the Compound
| Compound ID |
CP0092619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-3-phenyl-N-(3-(pyridin-3-yl)propyl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3O
|
||||||||||||||||||
| Molecular Weight |
337.467
|
||||||||||||||||||
| Canonical SMILES |
CC1(CCCN(C1)C(=O)NCCCc1cccnc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3O/c1-21(19-10-3-2-4-11-19)12-7-15-24(17-21)20(25)23-14-6-9-18-8-5-13-22-16-18/h2-5,8,10-11,13,16H,6-7,9,12,14-15,17H2,1H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALFVRYXSTFHIKR-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound