General Information of the Compound
Compound ID
CP0077621
Compound Name
(+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione
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Synonyms
1''-Benzyl-3-phenyl-[3,4'']bipiperidinyl-2,6-dione
1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione
119391-55-8
14051-33-3
2-(1-Benzyl-4-piperidyl)-2-phenylglutarimide
2-[1-BENZYL-4-PIPERIDYL]-2-PHENYLGLUTARIMIDE
5633-14-7
AC1L2J7P
Benzetimide (INN)
Benzetimide [INN]
Benzetimide(hydrochloride)
Benzetimidum
Benzetimidum [INN-Latin]
Benzezimida
Benzezimida [INN-Spanish]
CHEMBL10272
DSSTox_CID_26173
DSSTox_RID_81404
Dexbenzetimide
Dextrobenzetimide
NCGC00160474-01
[3,4'-Bipiperidine]-2,6-dione, 3-phenyl-1'-(phenylmethyl)-, (S)-
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Structure
Formula
C23H26N2O2
Molecular Weight
362.473
Canonical SMILES
O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1
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InChI
InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)
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InChIKey
LQQIVYSCPWCSSD-UHFFFAOYSA-N
CAS
14051-33-3
Physicochemical Property
logP
3.2732
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 21847
SID: 15052383
ChEMBL ID
CHEMBL10272
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: PT03433, C-X-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione )
Drug Name 1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione
Target(s)
Muscarinic acetylcholine receptor M3 (CHRM3)
Inhibitor
Muscarinic acetylcholine receptor M2 (CHRM2)
Inhibitor
Muscarinic acetylcholine receptor M1 (CHRM1)
Inhibitor
Muscarinic acetylcholine receptor M5 (CHRM5)
Inhibitor
Muscarinic acetylcholine receptor M4 (CHRM4)
Inhibitor