Home Carboxys 1-​piperidinecarboxylic acid, 3-​(aminocarbonyl)​-​3-​methyl-​, phenylmethyl ester

1-​piperidinecarboxylic acid, 3-​(aminocarbonyl)​-​3-​methyl-​, phenylmethyl ester

CAS No.:
174543-79-4
Catalog Number:
AG001ZR6
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
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Product Description
Catalog Number:
AG001ZR6
Chemical Name:
1-​piperidinecarboxylic acid, 3-​(aminocarbonyl)​-​3-​methyl-​, phenylmethyl ester
CAS Number:
174543-79-4
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
MDL Number:
MFCD28502766
IUPAC Name:
benzyl 3-carbamoyl-3-methylpiperidine-1-carboxylate
InChI:
InChI=1S/C15H20N2O3/c1-15(13(16)18)8-5-9-17(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H2,16,18)
InChI Key:
WGDHSFVEXLWNPV-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)(C)C(=O)N)OCc1ccccc1
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties