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142336-22-9 | 2,6-Piperidinedione,4,4-dimethyl-1-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-
CAS No: 142336-22-9 Catalog No: AG006UOJ MDL No:
Product Description
Catalog Number:
AG006UOJ
Chemical Name:
2,6-Piperidinedione,4,4-dimethyl-1-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-
CAS Number:
142336-22-9
Molecular Formula:
C24H32N4O2
Molecular Weight:
408.5365
IUPAC Name:
4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
InChI:
InChI=1S/C24H32N4O2/c1-24(2)17-22(29)28(23(30)18-24)12-6-5-11-26-13-15-27(16-14-26)21-10-9-19-7-3-4-8-20(19)25-21/h3-4,7-10H,5-6,11-18H2,1-2H3
InChI Key:
BMDBAQIDESDSEP-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)N1CCCCN1CCN(CC1)c1ccc2c(n1)cccc2
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.253g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.546g/mol
Monoisotopic Mass:
408.253g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis, in vitro binding studies and docking of long-chain arylpiperazine nitroquipazine analogues, as potential serotonin transporter inhibitors. | European journal of medicinal chemistry 20120301 |
| The molecular interactions of buspirone analogues with the serotonin transporter. | Bioorganic & medicinal chemistry 20081015 |
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