General Information of the Compound
Compound ID
CP0403173
Compound Name
N-(1-benzylpiperidin-4-yl)-2-(4-chloro-2-methylphenoxy)acetamide
    Show/Hide
Structure
Formula
C21H25ClN2O2
Molecular Weight
372.896
Canonical SMILES
Cc1cc(Cl)ccc1OCC(=O)NC1CCN(Cc2ccccc2)CC1
    Show/Hide
InChI
InChI=1S/C21H25ClN2O2/c1-16-13-18(22)7-8-20(16)26-15-21(25)23-19-9-11-24(12-10-19)14-17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)
    Show/Hide
InChIKey
PLZRUOWYXBPCKL-UHFFFAOYSA-N
Physicochemical Property
logP
3.80802
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 17173466
ChEMBL ID
CHEMBL4572083
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 23000 nM
   TI
   LI
   LO
   TS