General Information of the Compound
Compound ID
CP0572679
Compound Name
N-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
    Show/Hide
Structure
Formula
C22H35N3O2
Molecular Weight
373.541
Canonical SMILES
CC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCN1CCCCC1
    Show/Hide
InChI
InChI=1S/C22H35N3O2/c1-18(2)25-15-10-21(11-16-25)27-20-8-6-19(7-9-20)22(26)23-12-17-24-13-4-3-5-14-24/h6-9,18,21H,3-5,10-17H2,1-2H3,(H,23,26)
    Show/Hide
InChIKey
SSOCGQBBOOZHBW-UHFFFAOYSA-N
Physicochemical Property
logP
3.1539
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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
CID: 155534484
ChEMBL ID
CHEMBL4470829
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
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 9.5 nM
   TI
   LI
   LO
   TS