General Information of the Compound
Compound ID
CP0006549
Compound Name
(E,E)-1-piperoylpiperidine
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Synonyms
(E,E)-1-piperoylpiperidine
1-Piperoylpiperidine
1-Piperoylpiperidine, (E,E)-
1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine
7780-20-3
94-62-2
Bioperine
C17H19NO3
CCRIS 5572
CHEBI:28821
CHEMBL43185
EINECS 202-348-0
FEMA No. 2909
MXXWOMGUGJBKIW-YPCIICBESA-N
N-(E,E)-piperoyl-piperidine
N-[(E,E)-Piperoyl]piperidine
NSC 21727
NSC21727
PIPERINE
Piperidine, 1-piperoyl-, (E,E)-
Piperin
Piperine (aliphatic)
Piperoylpiperidine
U71XL721QK
UNII-U71XL721QK
piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)
piperine
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Structure
Formula
C17H19NO3
Molecular Weight
285.343
Canonical SMILES
O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
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InChI
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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InChIKey
MXXWOMGUGJBKIW-YPCIICBESA-N
CAS
147030-08-8
94-62-2
7780-20-3
Physicochemical Property
logP
2.9972
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 638024
SID: 14775491
ChEMBL ID
CHEMBL43185
DrugBank ID
DB12582
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: PT01362, Amine oxidase [flavin-containing] B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1050 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 483 nM
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 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
EC50 = 3162.28 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PIPERINE )
Drug Name PIPERINE
Indication
Vitiligo
Phase 1/2
Target(s)
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor