General Information of the Compound
Compound ID
CP0320948
Compound Name
1-adamantyl(piperidin-1-yl)methanone
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Synonyms
(3r,5r,7r)-adamantan-1-yl(piperidin-1-yl)methanone
1-(1-Adamantylcarbonyl)piperidine
1-adamantyl(piperidin-1-yl)methanone
1-adamantyl(piperidino)methanone
22508-49-2
AC1LBKY9
Adamantan-1-yl-piperidin-1-yl-methanone
BURUIZXRHQWZQI-UHFFFAOYSA-N
CHEMBL245590
CTK7F5375
HMS2178P18
HMS564J07
MLS000526612
Maybridge1_008125
MolPort-001-930-823
Oprea1_290126
Oprea1_633750
Piperidino(1-adamantyl) ketone
SCHEMBL19841773
SCHEMBL3457055
SMR000117086
ZINC4031797
adamantanyl piperidyl ketone
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Structure
Formula
C16H25NO
Molecular Weight
247.382
Canonical SMILES
O=C(N1CCCCC1)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C16H25NO/c18-15(17-4-2-1-3-5-17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
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InChIKey
BURUIZXRHQWZQI-UHFFFAOYSA-N
Physicochemical Property
logP
3.2153
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 584509
ChEMBL ID
CHEMBL245590
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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 134 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 193 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Adamantan-1-yl-piperidin-1-yl-methanone )
Drug Name Adamantan-1-yl-piperidin-1-yl-methanone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
 Target Info 
Inhibitor