General Information of the Compound
Compound ID
CP0184336
Compound Name
4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide
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Synonyms
1-Piperidinebutanamide, 4-(4-
4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutyramide
4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide
4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
53179-10-5
6H13T09362
AC1L2ZCI
AC1Q4JI5
BDBM50017686
CHEMBL421665
FLUPERAMIDE
Fluperamide
Fluperamide [USAN:INN]
R 18,910
R-18910
SCHEMBL120826
UNII-6H13T09362
ZINC4216287
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Structure
Formula
C30H32ClF3N2O2
Molecular Weight
545.045
Canonical SMILES
CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3
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InChIKey
WPYGCZCMGMVGNO-UHFFFAOYSA-N
CAS
53179-10-5
Physicochemical Property
logP
6.1068
Rotatable Bonds
7
Heavy Atom Count
38
Polar Areas
43.78
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
38

"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: 131534
SID: 14962909
ChEMBL ID
CHEMBL421665
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: PT01360, Nociceptin receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 2151 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( FLUPERAMIDE )
Drug Name FLUPERAMIDE
Target(s)
Opioid receptor mu (MOP)
 Target Info 
Inhibitor
Nociceptin receptor (OPRL1)
 Target Info 
Inhibitor