General Information of the Compound
Compound ID
CP0522714
Compound Name
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide
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Structure
Formula
C20H24N2O
Molecular Weight
308.425
Canonical SMILES
Cc1ccc(cc1)-c1ccccc1C(=O)NCC1CCNCC1
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InChI
InChI=1S/C20H24N2O/c1-15-6-8-17(9-7-15)18-4-2-3-5-19(18)20(23)22-14-16-10-12-21-13-11-16/h2-9,16,21H,10-14H2,1H3,(H,22,23)
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InChIKey
CWTOSPBNFYUDHB-UHFFFAOYSA-N
Physicochemical Property
logP
3.39142
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 46891545
ChEMBL ID
CHEMBL1084502
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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