General Information of the Compound
Compound ID
CP0439630
Compound Name
5-methoxy-N-piperidin-4-yl-1H-indole-3-carboxamide
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Structure
Formula
C15H19N3O2
Molecular Weight
273.336
Canonical SMILES
COc1ccc2[nH]cc(C(=O)NC3CCNCC3)c2c1
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InChI
InChI=1S/C15H19N3O2/c1-20-11-2-3-14-12(8-11)13(9-17-14)15(19)18-10-4-6-16-7-5-10/h2-3,8-10,16-17H,4-7H2,1H3,(H,18,19)
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InChIKey
RTXMYMNSWAINHH-UHFFFAOYSA-N
Physicochemical Property
logP
1.6583
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
66.15
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 44249318
SID: 85283119
ChEMBL ID
CHEMBL558757
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3162.28 nM
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