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162045-30-9 | 1-Piperidinecarboxylic acid, 4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-, 1,1-dimethylethyl ester
CAS No: 162045-30-9 Catalog No: AG001SOB MDL No:MFCD13195453
Product Description
Catalog Number:
AG001SOB
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-, 1,1-dimethylethyl ester
CAS Number:
162045-30-9
Molecular Formula:
C18H24N2O4
Molecular Weight:
332.3942
MDL Number:
MFCD13195453
IUPAC Name:
tert-butyl 4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C18H24N2O4/c1-18(2,3)24-16(21)19-10-8-14(9-11-19)20-15-7-5-4-6-13(15)12-23-17(20)22/h4-7,14H,8-12H2,1-3H3
InChI Key:
XJVWIJJRQGZWEZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC(C)(C)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.4g/mol
Monoisotopic Mass:
332.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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