General Information of the Compound
Compound ID
CP0375998
Compound Name
2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide
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Synonyms
BDBM50088702
CHEMBL275469
IIRJWNCOXHFIBK-UHFFFAOYSA-N
N-[2-[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]ethyl]-2-oxo-1-piperidineacetamide
N-{2-[4-(2-(2-propoxy) phenyl)-1-piperazinyl]ethyl}-2-(2-oxo-piperidin-1-yl)acetamide
N-{2-[4-(2-(2-propoxy)phenyl)-1-piperazinyl]ethyl}-2-(2-oxo-piperidin-1-yl)acetamide
N-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethyl}-2-(2-oxo-piperidin-1-yl)-acetamide
RWJ-38063
RWJ-38603
SCHEMBL7689590
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Structure
Formula
C22H34N4O3
Molecular Weight
402.539
Canonical SMILES
CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
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InChI
InChI=1S/C22H34N4O3/c1-18(2)29-20-8-4-3-7-19(20)25-15-13-24(14-16-25)12-10-23-21(27)17-26-11-6-5-9-22(26)28/h3-4,7-8,18H,5-6,9-17H2,1-2H3,(H,23,27)
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InChIKey
IIRJWNCOXHFIBK-UHFFFAOYSA-N
Physicochemical Property
logP
1.7245
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
65.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 9887378
SID: 14854883
ChEMBL ID
CHEMBL275469
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: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 8.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 46120 nM
   TI
   LI
   LO
   TS
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 372 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( RWJ-38063 )
Drug Name RWJ-38063
Target(s)
Adrenergic receptor alpha-1D (ADRA1D)
Inhibitor
Adrenergic receptor alpha-1A (ADRA1A)
Inhibitor