General Information of the Compound
Compound ID
CP0340803
Compound Name
1-adamantyl(piperazin-1-yl)methanone
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Synonyms
1-(1-adamantanecarbonyl)piperazine
1-(1-adamantylcarbonyl)piperazine
29869-08-7
AB00983558-01
AC1Q5KAX
AKOS009097513
ALBB-024506
Adamantan-1-yl-piperazin-1-yl-methanone
BBL037233
BDBM50207783
CHEMBL391335
CTK4G3954
DTXSID70589438
EN300-25317
MCULE-3925280273
MolPort-006-345-515
SBB071957
SCHEMBL1150471
ST072044
STL412114
XAFSAELWLMDLKL-UHFFFAOYSA-N
ZINC12343593
adamantan-1-yl-piperazin-1-yl-methanone
adamantanyl piperazinyl ketone
piperazin-1-yl(tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
piperazine, 1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-
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Structure
Formula
C15H24N2O
Molecular Weight
248.37
Canonical SMILES
O=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C15H24N2O/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,1-10H2
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InChIKey
XAFSAELWLMDLKL-UHFFFAOYSA-N
Physicochemical Property
logP
1.6346
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 17233943
ChEMBL ID
CHEMBL391335
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: 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 = 8200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Adamantan-1-yl-piperazin-1-yl-methanone )
Drug Name Adamantan-1-yl-piperazin-1-yl-methanone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
 Target Info 
Inhibitor