General Information of the Compound
Compound ID
CP0384366
Compound Name
2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
    Show/Hide
Structure
Formula
C20H23ClN2O
Molecular Weight
342.87
Canonical SMILES
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccc(Cl)cc2)c1
    Show/Hide
InChI
InChI=1S/C20H23ClN2O/c1-15-3-2-4-19(13-15)22-20(24)14-23-11-9-17(10-12-23)16-5-7-18(21)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)
    Show/Hide
InChIKey
MGAAMGRSXKBQAO-UHFFFAOYSA-N
Physicochemical Property
logP
4.46652
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 155511803
ChEMBL ID
CHEMBL4436479
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 71437 nM
   TI
   LI
   LO
   TS
2
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 26320 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 42357 nM
   TI
   LI
   LO
   TS
2
IC50 = 70157 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 115.2 nM
   TI
   LI
   LO
   TS