General Information of the Compound
Compound ID
CP0308219
Compound Name
(1H-Indol-2-yl)-piperazin-1-yl-methanone
    Show/Hide
Synonyms
(1H-Indol-2-yl)-piperazin-1-yl-methanone
(1H-indol-2-yl)(piperazin-1-yl)methanone
136818-95-6
1H-indol-2-yl(piperazin-1-yl)methanone
1H-indol-2-yl-1-piperazinyl-Methanone
2-(piperazin-1-ylcarbonyl)-1H-indole
2-(piperazine-1-carbonyl)-1H-indole
4012AD
AC1LJDZ7
AKOS000210389
ALBB-016237
BDBM50133002
CHEMBL129660
DTXSID30358889
FIVCRRVYLAXYFC-UHFFFAOYSA-N
MCULE-2536499366
MolPort-002-566-226
NS-02944
Oprea1_711133
Piperazine, 1-(1H-indol-2-ylcarbonyl)-
SCHEMBL2679610
STL484224
ZINC509902
piperazoylindole
    Show/Hide
Structure
Formula
C13H15N3O
Molecular Weight
229.283
Canonical SMILES
O=C(N1CCNCC1)c1cc2ccccc2[nH]1
    Show/Hide
InChI
InChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2
    Show/Hide
InChIKey
FIVCRRVYLAXYFC-UHFFFAOYSA-N
Physicochemical Property
logP
1.2133
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
48.13
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 921599
SID: 16144392
ChEMBL ID
CHEMBL129660
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 38 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 38 nM
Clinical Information about the Compound
Drug 1 ( (1H-indol-2-yl)(piperazin-1-yl)methanone )
Drug Name (1H-indol-2-yl)(piperazin-1-yl)methanone
Target(s)
Histamine H4 receptor (H4R)
Inhibitor
Histamine H3 receptor (H3R)
Inhibitor