General Information of the Compound
Compound ID
CP0202964
Compound Name
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
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Synonyms
2-naphthyl-N-[1-benzyl(4-piperidyl)]carboxamide
AKOS003382305
BDBM50203383
CHEMBL228972
MCULE-1935524858
MolPort-005-630-484
N-(1-benzylpiperidin-4-yl)-2-naphthamide
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
N-(1-benzylpiperidine-4-yl)-2-naphthamide
ST50877721
STK491618
Z32353863
ZINC12985947
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Structure
Formula
C23H24N2O
Molecular Weight
344.458
Canonical SMILES
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
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InChI
InChI=1S/C23H24N2O/c26-23(21-11-10-19-8-4-5-9-20(19)16-21)24-22-12-14-25(15-13-22)17-18-6-2-1-3-7-18/h1-11,16,22H,12-15,17H2,(H,24,26)
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InChIKey
RQEOFDOXFRRFQL-UHFFFAOYSA-N
Physicochemical Property
logP
4.2342
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 16725912
SID: 26682123
ChEMBL ID
CHEMBL228972
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: PT02527, Sodium- and chloride-dependent betaine transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000027 tsA201
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 15000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02528, Sodium- and chloride-dependent GABA transporter 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000027 tsA201
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05696, Sodium- and chloride-dependent GABA transporter 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000027 tsA201
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 23000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02526, Sodium- and chloride-dependent GABA transporter 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000027 tsA201
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(1-benzylpiperidine-4-yl)-2-naphthamide )
Drug Name N-(1-benzylpiperidine-4-yl)-2-naphthamide
Target(s)
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor