General Information of the Compound
Compound ID
CP0548548
Compound Name
2,2-Diphenyl-N-(4-piperidin-1-yl-butyl)-acetamide
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Structure
Formula
C23H30N2O
Molecular Weight
350.506
Canonical SMILES
O=C(NCCCCN1CCCCC1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H30N2O/c26-23(24-16-8-11-19-25-17-9-3-10-18-25)22(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,12-15,22H,3,8-11,16-19H2,(H,24,26)
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InChIKey
OOLIUTRYUSLCRG-UHFFFAOYSA-N
Physicochemical Property
logP
4.2008
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 10498074
SID: 15522998
ChEMBL ID
CHEMBL40002
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: PT04059, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10000 nM
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   LI
   LO
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