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1146080-58-1 | 1-Piperidinecarboxylic acid, 3-[2-(4-morpholinylcarbonyl)phenoxy]-, 1,1-dimethylethyl ester
CAS No: 1146080-58-1 Catalog No: AG000ESY MDL No:
Product Description
Catalog Number:
AG000ESY
Chemical Name:
1-Piperidinecarboxylic acid, 3-[2-(4-morpholinylcarbonyl)phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
1146080-58-1
Molecular Formula:
C21H30N2O5
Molecular Weight:
390.4733
IUPAC Name:
tert-butyl 3-[2-(morpholine-4-carbonyl)phenoxy]piperidine-1-carboxylate
InChI:
InChI=1S/C21H30N2O5/c1-21(2,3)28-20(25)23-10-6-7-16(15-23)27-18-9-5-4-8-17(18)19(24)22-11-13-26-14-12-22/h4-5,8-9,16H,6-7,10-15H2,1-3H3
InChI Key:
KSWCMTWQECVWTI-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)Oc1ccccc1C(=O)N1CCOCC1)OC(C)(C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.215g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.48g/mol
Monoisotopic Mass:
390.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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