General Information of the Compound
Compound ID
CP0438630
Compound Name
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-(diethylamino)acetamide
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Structure
Formula
C21H33N3O2
Molecular Weight
359.514
Canonical SMILES
CCN(CC)CC(=O)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
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InChI
InChI=1S/C21H33N3O2/c1-3-23(4-2)16-21(25)22-17-8-10-19(11-9-17)26-20-12-14-24(15-13-20)18-6-5-7-18/h8-11,18,20H,3-7,12-16H2,1-2H3,(H,22,25)
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InChIKey
RCXPBXUBEMWDIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.3626
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 155556301
ChEMBL ID
CHEMBL4554857
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 11.7 nM
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