A1A5H

(3S)-3-(5-{[(4R)-6-ethyl-6-azaspiro[2.5]octan-4-yl]oxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione

Created: 2024-09-09
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count2
Bond Count60
Aromatic Bond Count6
2D diagram of A1A5H
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Chemical Component Summary

Name(3S)-3-(5-{[(4R)-6-ethyl-6-azaspiro[2.5]octan-4-yl]oxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione
Systematic Name (OpenEye OEToolkits)(3~{S})-3-[6-[[(8~{R})-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione
FormulaC22 H27 N3 O4
Molecular Weight397.467
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs14.52O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)OC1CN(CC)CCC21CC2
SMILESCACTVS3.385CCN1CCC2(CC2)[CH](C1)Oc3ccc4C(=O)N(Cc4c3)[CH]5CCC(=O)NC5=O
SMILESOpenEye OEToolkits2.0.7CCN1CCC2(CC2)C(C1)Oc3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O
Canonical SMILESCACTVS3.385 CCN1CCC2(CC2)[C@H](C1)Oc3ccc4C(=O)N(Cc4c3)[C@H]5CCC(=O)NC5=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCN1CCC2(CC2)[C@H](C1)Oc3ccc4c(c3)CN(C4=O)[C@H]5CCC(=O)NC5=O
InChIInChI1.06 InChI=1S/C22H27N3O4/c1-2-24-10-9-22(7-8-22)18(13-24)29-15-3-4-16-14(11-15)12-25(21(16)28)17-5-6-19(26)23-20(17)27/h3-4,11,17-18H,2,5-10,12-13H2,1H3,(H,23,26,27)/t17-,18-/m0/s1
InChIKeyInChI1.06 SAKPRYFSUZZCOQ-ROUUACIJSA-N

Related Resource References

Resource NameReference
PubChem 166591926