General Information of the Compound
Compound ID
CP0403494
Compound Name
2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(m-tolyl)acetamide
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Structure
Formula
C21H26N2O2
Molecular Weight
338.451
Canonical SMILES
COc1ccccc1C1CCN(CC(=O)Nc2cccc(C)c2)CC1
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InChI
InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)22-21(24)15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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InChIKey
WNDADDXKRMDNSK-UHFFFAOYSA-N
Physicochemical Property
logP
3.82172
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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).

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PubChem ID
CID: 10472323
SID: 15495769
ChEMBL ID
CHEMBL218761
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: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 420 nM
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