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Home > Other Heterocycles > 688011-80-5
688011-80-5 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[2-(4-phenyl-1-piperidinyl)ethyl]-
CAS No: 688011-80-5 Catalog No: AG005NZK MDL No:
Product Description
Catalog Number:
AG005NZK
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[2-(4-phenyl-1-piperidinyl)ethyl]-
CAS Number:
688011-80-5
Molecular Formula:
C22H30N2O2
Molecular Weight:
354.4858
IUPAC Name:
8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C22H30N2O2/c25-20-16-22(10-4-5-11-22)17-21(26)24(20)15-14-23-12-8-19(9-13-23)18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2
InChI Key:
YQHUEAFWSKZKDZ-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(CC1)c1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.231g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.494g/mol
Monoisotopic Mass:
354.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor. | Journal of medicinal chemistry 20040408 |
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