General Information of the Compound
Compound ID
CP0402749
Compound Name
(+)-3-(1-Propyl-piperidin-3-yl)-benzonitrile
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Synonyms
(+)-3-(1-Propyl-piperidin-3-yl)-benzonitrile
(-)-3-(1-Propyl-piperidin-3-yl)-benzonitrile
150336-90-6
3-(1-Propyl-3-piperidinyl)benzonitrile
3-(1-Propyl-piperidin-3-yl)-benzonitrile
3-(1-Propylpiperidine-3-yl)benzonitrile
3-(1-propylpiperidin-3-yl)benzonitrile
3-(3-Cyanophenyl)-N-n-propylpiperidine
AC1L1JNG
AC1Q4RGX
ACMC-1C3WE
BDBM50041960
Benzonitrile, 3-(1-propyl-3-piperidinyl)-, (+-)-
Benzonitrile,3-(1-propyl-3-piperidinyl)-
CHEMBL107492
CTK4C6605
DS121 Cpd
L007862
SCHEMBL872942
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Structure
Formula
C15H20N2
Molecular Weight
228.339
Canonical SMILES
CCCN1CCCC(C1)c1cccc(c1)C#N
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InChI
InChI=1S/C15H20N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h3,5-6,10,15H,2,4,7-9,12H2,1H3
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InChIKey
GQRIAOUUYRIMLH-UHFFFAOYSA-N
CAS
150336-90-6
Physicochemical Property
logP
3.14768
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
27.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 5119
SID: 16485025
ChEMBL ID
CHEMBL107492
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: PT00943, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 249 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki > 933 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (-)-3-(1-Propyl-piperidin-3-yl)-benzonitrile )
Drug Name (-)-3-(1-Propyl-piperidin-3-yl)-benzonitrile
Target(s)
Dopamine D3 receptor (D3R)
 Target Info 
Inhibitor
Dopamine D2 receptor (D2R)
 Target Info 
Inhibitor