General Information of the Compound
Compound ID
CP0280402
Compound Name
N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide
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Structure
Formula
C22H29N3O
Molecular Weight
351.494
Canonical SMILES
CCN(CC)C(=O)c1ccc(cc1)N(C1CCNCC1)c1ccccc1
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InChI
InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)18-10-12-20(13-11-18)25(19-8-6-5-7-9-19)21-14-16-23-17-15-21/h5-13,21,23H,3-4,14-17H2,1-2H3
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InChIKey
AWAZHWFNXWUHIQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0587
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 12988885
ChEMBL ID
CHEMBL66755
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: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 458 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 35 nM