General Information of the Compound
Compound ID
CP0501475
Compound Name
N-(2-ethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
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Structure
Formula
C14H19N3O2
Molecular Weight
261.325
Canonical SMILES
CCc1ccccc1NC(=O)CC1NCCNC1=O
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InChI
InChI=1S/C14H19N3O2/c1-2-10-5-3-4-6-11(10)17-13(18)9-12-14(19)16-8-7-15-12/h3-6,12,15H,2,7-9H2,1H3,(H,16,19)(H,17,18)
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InChIKey
RMQFTRVOJLPICI-UHFFFAOYSA-N
Physicochemical Property
logP
0.6656
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 2955320
ChEMBL ID
CHEMBL573597
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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