Home Carboxys 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid

1-(4-fluorobenzoyl)piperidine-3-carboxylic acid

CAS No.:
436093-16-2
Catalog Number:
AG00J9AH
Molecular Formula:
C13H14FNO3
Molecular Weight:
251.2536
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Product Description
Catalog Number:
AG00J9AH
Chemical Name:
1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
CAS Number:
436093-16-2
Molecular Formula:
C13H14FNO3
Molecular Weight:
251.2536
MDL Number:
MFCD03278694
IUPAC Name:
1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C13H14FNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)
InChI Key:
RVLHLMFNCSEIHG-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)C(=O)c1ccc(cc1)F
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.096g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.257g/mol
Monoisotopic Mass:
251.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties