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1146080-07-0 | 1-Piperidinecarboxylic acid, 3-[[4-(4-morpholinylcarbonyl)phenoxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1146080-07-0 Catalog No: AG000ET5 MDL No:
Product Description
Catalog Number:
AG000ET5
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[4-(4-morpholinylcarbonyl)phenoxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1146080-07-0
Molecular Formula:
C22H32N2O5
Molecular Weight:
404.4999
IUPAC Name:
tert-butyl 3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C22H32N2O5/c1-22(2,3)29-21(26)24-10-4-5-17(15-24)16-28-19-8-6-18(7-9-19)20(25)23-11-13-27-14-12-23/h6-9,17H,4-5,10-16H2,1-3H3
InChI Key:
NTWIHQIHEPWZIT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)COc1ccc(cc1)C(=O)N1CCOCC1)OC(C)(C)C
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.231g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.507g/mol
Monoisotopic Mass:
404.231g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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