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1290625-80-7 | Spiro[piperidine-4,3'-[3H]pyrrolo[3,2-b]pyridine]-1-carboxylic acid, 1',2'-dihydro-2'-oxo-, 1,1-dimethylethyl ester
CAS No: 1290625-80-7 Catalog No: AG000YT2 MDL No:
Product Description
Catalog Number:
AG000YT2
Chemical Name:
Spiro[piperidine-4,3'-[3H]pyrrolo[3,2-b]pyridine]-1-carboxylic acid, 1',2'-dihydro-2'-oxo-, 1,1-dimethylethyl ester
CAS Number:
1290625-80-7
Molecular Formula:
C16H21N3O3
Molecular Weight:
303.3562
IUPAC Name:
tert-butyl 2-oxospiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C16H21N3O3/c1-15(2,3)22-14(21)19-9-6-16(7-10-19)12-11(18-13(16)20)5-4-8-17-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,18,20)
InChI Key:
JUZHTUJBOFJPDG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)C(=O)Nc1c2nccc1)OC(C)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.362g/mol
Monoisotopic Mass:
303.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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