General Information of the Compound
Compound ID
CP0572084
Compound Name
N-cyclopropyl-4-(4-phenylpyridin-3-yl)piperidine-1-carboxamide
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Structure
Formula
C20H23N3O
Molecular Weight
321.424
Canonical SMILES
O=C(NC1CC1)N1CCC(CC1)c1cnccc1-c1ccccc1
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InChI
InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)23-12-9-16(10-13-23)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24)
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InChIKey
SIERYDZJRZQUEO-UHFFFAOYSA-N
Physicochemical Property
logP
3.8
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 166632917
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: PT04604, Cholesterol 24-hydroxylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 950 nM
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