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Home > Other Heterocycles > 21102-94-3
21102-94-3 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-
CAS No: 21102-94-3 Catalog No: AG002L57 MDL No:
Product Description
Catalog Number:
AG002L57
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-
CAS Number:
21102-94-3
Molecular Formula:
C22H31N3O3
Molecular Weight:
385.4998
IUPAC Name:
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChI Key:
AYYCFGDXLUPJAQ-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2
UNII:
08EI0K81OL
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.237g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.508g/mol
Monoisotopic Mass:
385.237g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
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