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Home Carboxys 1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester

1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester

CAS No.:
39514-19-7
Catalog Number:
AG0032AL
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$23
- +
5g
96%
In Stock USA
United States
$69
- +
10g
96%
In Stock USA
United States
$119
- +
25g
96%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0032AL
Chemical Name:
1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester
CAS Number:
39514-19-7
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD00044512
IUPAC Name:
ethyl 1-benzyl-3-oxopiperidine-4-carboxylate
InChI:
InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChI Key:
JYFGIESQUYQLGM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1=O)Cc1ccccc1
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. Journal of medicinal chemistry 20101111
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
tert-Butyl 4-carbamoyl-3-methoxy-imino-4-methyl-piperidine-1-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20081201
Properties