General Information of the Compound
Compound ID
CP0387988
Compound Name
N-piperidin-4-yl-N-propylnaphthalene-2-carboxamide
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Synonyms
CHEMBL565638
N-(piperidin-4-yl)-N-propyl-2-naphthamide
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Structure
Formula
C19H24N2O
Molecular Weight
296.414
Canonical SMILES
CCCN(C1CCNCC1)C(=O)c1ccc2ccccc2c1
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InChI
InChI=1S/C19H24N2O/c1-2-13-21(18-9-11-20-12-10-18)19(22)17-8-7-15-5-3-4-6-16(15)14-17/h3-8,14,18,20H,2,9-13H2,1H3
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InChIKey
KPOGSLKDEJXGPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.444
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 45487772
ChEMBL ID
CHEMBL565638
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 12700 nM
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 40000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 40000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 28.3 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(piperidin-4-yl)-N-propyl-2-naphthamide )
Drug Name N-(piperidin-4-yl)-N-propyl-2-naphthamide
Target(s)
Serotonin transporter (SERT)
Inhibitor
Voltage-gated potassium channel Kv11.1 (KCNH2)
Inhibitor