General Information of the Compound
Compound ID
CP0875435
Compound Name
cis-4-(2-fluorophenyl)-1-(4-isopropylcyclohexyl)piperidine-4-carboxamide
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Structure
Formula
C21H31FN2O
Molecular Weight
346.49
Canonical SMILES
CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1
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InChI
InChI=1S/C21H31FN2O/c1-15(2)16-7-9-17(10-8-16)24-13-11-21(12-14-24,20(23)25)18-5-3-4-6-19(18)22/h3-6,15-17H,7-14H2,1-2H3,(H2,23,25)
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InChIKey
QBQUJQMXMJYXBA-UHFFFAOYSA-N
Physicochemical Property
logP
3.8594
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 24800188
ChEMBL ID
CHEMBL406758
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 186 nM
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