Text Search
Structure Search

8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl](1,1,2,2,3,3,4,4-²H?)butyl}-8-azaspiro[4.5]decane-7,9-dione hydrochloride

8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl](1,1,2,2,3,3,4,4-²H?)butyl}-8-azaspiro[4.5]decane-7,9-dione hydrochloride

CAS: 1216761-39-5

Formula: C21H32ClN5O2

SMILES: Cl.[2H]C([2H])(N1CCN(CC1)C1=NC=CC=N1)C([2H])([2H])C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O

IUPAC: 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl](1,1,2,2,3,3,4,4-²H?)butyl}-8-azaspiro[4.5]decane-7,9-dione hydrochloride

InChI: InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H/i3D2,4D2,10D2,11D2;

Composition: C (58.66%), H (5.63%), [2H] (3.75%), Cl (8.24%), N (16.29%), O (7.44%)

Molar Mass: 430.02

Atom Count: 61

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 429.274667
Formal Charge 0
FSP3 0.71
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey RICLFGYGYQXUFH-WPEKBPPBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.89
Topological Polar Surface Area 69.64
Polarizability 41.62
Ring Count 4
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1216761-39-5 $59.16-$164.22$59.16$164.22
Request Quote