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1345970-43-5

1345970-43-5 | 2-(2-methoxyphenyl)-1-[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-ethanone

CAS No: 1345970-43-5 Catalog No: AG01EOZ5 MDL No:

Product Description

Catalog Number:
AG01EOZ5
Chemical Name:
2-(2-methoxyphenyl)-1-[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-ethanone
CAS Number:
1345970-43-5
Molecular Formula:
C24H28N2O2
Molecular Weight:
376.4913
IUPAC Name:
2-(2-methoxyphenyl)-1-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]ethanone
InChI:
InChI=1S/C24H28N2O2/c1-25-14-8-7-10-19(25)16-26-17-21(20-11-4-5-12-22(20)26)23(27)15-18-9-3-6-13-24(18)28-2/h3-6,9,11-13,17,19H,7-8,10,14-16H2,1-2H3
InChI Key:
AJSBNWAHEDVQJT-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC(=O)c1cn(c2c1cccc2)CC1CCCCN1C

Properties

Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.215g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.5g/mol
Monoisotopic Mass:
376.215g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

Title Journal
Identification of a novel cannabimimetic phenylacetylindole, cannabipiperidiethanone, as a designer drug in a herbal product and its affinity for cannabinoid CB₁ and CB₂ receptors. Chemical & pharmaceutical bulletin 20110101

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