General Information of the Compound
Compound ID
CP0439257
Compound Name
5-Piperidin-1-yl-pentanoic acid m-tolylamide
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Structure
Formula
C17H26N2O
Molecular Weight
274.408
Canonical SMILES
Cc1cccc(NC(=O)CCCCN2CCCCC2)c1
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InChI
InChI=1S/C17H26N2O/c1-15-8-7-9-16(14-15)18-17(20)10-3-6-13-19-11-4-2-5-12-19/h7-9,14H,2-6,10-13H2,1H3,(H,18,20)
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InChIKey
UUUXHSIGZOSBJB-UHFFFAOYSA-N
Physicochemical Property
logP
3.58972
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 45484294
ChEMBL ID
CHEMBL565520
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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS