General Information of the Compound
Compound ID
CP0392115
Compound Name
2-Ethyl-5-methoxy-3-piperidin-4-yl-1H-indole
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Synonyms
1h-indole,2-ethyl-5-methoxy-3-(4-piperidinyl)-
2-Ethyl-5-methoxy-3-piperidin-4-yl-1H-indole
866404-90-2
BDBM50171247
CHEMBL194412
ZINC28526364
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Structure
Formula
C16H22N2O
Molecular Weight
258.365
Canonical SMILES
CCc1[nH]c2ccc(OC)cc2c1C1CCNCC1
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InChI
InChI=1S/C16H22N2O/c1-3-14-16(11-6-8-17-9-7-11)13-10-12(19-2)4-5-15(13)18-14/h4-5,10-11,17-18H,3,6-9H2,1-2H3
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InChIKey
UMTBQNCFQQORNJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2059
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
37.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44403334
ChEMBL ID
CHEMBL194412
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Ethyl-5-methoxy-3-piperidin-4-yl-1H-indole )
Drug Name 2-Ethyl-5-methoxy-3-piperidin-4-yl-1H-indole
Target(s)
5-HT 6 receptor (HTR6)
Inhibitor