General Information of the Compound
Compound ID
CP0416358
Compound Name
2-(3-chlorophenyl)-N-(1-piperidin-4-ylethyl)benzamide
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Structure
Formula
C20H23ClN2O
Molecular Weight
342.87
Canonical SMILES
CC(NC(=O)c1ccccc1-c1cccc(Cl)c1)C1CCNCC1
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InChI
InChI=1S/C20H23ClN2O/c1-14(15-9-11-22-12-10-15)23-20(24)19-8-3-2-7-18(19)16-5-4-6-17(21)13-16/h2-8,13-15,22H,9-12H2,1H3,(H,23,24)
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InChIKey
OMSWDVKFMOIECZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1249
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
41.13
Hydrogen Bond Donor Count
2
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).

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PubChem ID
CID: 46891086
ChEMBL ID
CHEMBL1084995
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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