4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one

C78H81N9O15 — CID 160611097

IUPAC4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
SMILES[2H]c1c(C([2H])N2CCOCC2=O)ccc(C([2H])([2H])Oc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)c1[2H].[2H]c1cc(C([2H])([2H])Oc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)c([2H])cc1C([2H])N1CCOCC1=O.[2H]c1cc(C([2H])N2CCOCC2=O)cc([2H])c1C([2H])([2H])Oc1cccc2c1CN(C1CCC(=C)NC1=O)C2=O
InChIInChI=1S/3C26H27N3O5/c3*1-17-5-10-22(25(31)27-17)29-14-21-20(26(29)32)3-2-4-23(21)34-15-19-8-6-18(7-9-19)13-28-11-12-33-16-24(28)30/h3*2-4,6-9,22H,1,5,10-16H2,(H,27,31)/i8D,9D,13D,15D2;6D,9D,13D,15D2;6D,8D,13D,15D2
InChIKeyRFMWMIWJVUAYJS-MHNVXMPPSA-N
MW1399.65 g/mol
LogP7.12
Rot. Bonds18

About 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one

4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one (PubChem CID 160611097) has the molecular formula C78H81N9O15 and a molecular weight of 1399.65 g/mol. Its IUPAC name is 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
PubChem CID160611097
Molecular FormulaC78H81N9O15
Molecular Weight1399.65 g/mol
Exact Mass1398.68
IUPAC Name4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
SMILES[2H]c1c(C([2H])N2CCOCC2=O)ccc(C([2H])([2H])Oc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)c1[2H].[2H]c1cc(C([2H])([2H])Oc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)c([2H])cc1C([2H])N1CCOCC1=O.[2H]c1cc(C([2H])N2CCOCC2=O)cc([2H])c1C([2H])([2H])Oc1cccc2c1CN(C1CCC(=C)NC1=O)C2=O
InChIInChI=1S/3C26H27N3O5/c3*1-17-5-10-22(25(31)27-17)29-14-21-20(26(29)32)3-2-4-23(21)34-15-19-8-6-18(7-9-19)13-28-11-12-33-16-24(28)30/h3*2-4,6-9,22H,1,5,10-16H2,(H,27,31)/i8D,9D,13D,15D2;6D,9D,13D,15D2;6D,8D,13D,15D2
InChIKeyRFMWMIWJVUAYJS-MHNVXMPPSA-N
XLogP7.12
TPSA264.54 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.65
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one with MolForge

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Related Compounds

4-[deuterio-[3-deuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
CID 160610994
4-[[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
CID 160611159
4-[[2,3,5,6-tetradeuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
CID 160611128
3-[7-[dideuterio-[2,3,6-trideuterio-4-[deuterio-(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902582
4-[dideuterio-[2,6-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
CID 160611094
4-[dideuterio-[2,3,6-trideuterio-4-[deuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one
CID 160611086
3-[7-[deuterio-[2,3,6-trideuterio-4-[deuterio-(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902520
3-[7-[deuterio-[2,5-dideuterio-4-[deuterio-(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902539
3-[7-[dideuterio-[2-deuterio-4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902682
3-[7-[dideuterio-[4-[dideuterio-(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902533
3-[7-[[3,5-dideuterio-4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902583
4-[[4-[[6-deuterio-2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]morpholin-3-one
CID 160611064

Frequently Asked Questions

What is the IUPAC name of 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one?
The IUPAC name of 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one (CID 160611097) is 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one is [2H]c1c(C([2H])N2CCOCC2=O)ccc(C([2H])([2H])Oc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)c1[2H].[2H]c1cc(C([2H])([2H])Oc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)c([2H])cc1C([2H])N1CCOCC1=O.[2H]c1cc(C([2H])N2CCOCC2=O)cc([2H])c1C([2H])([2H])Oc1cccc2c1CN(C1CCC(=C)NC1=O)C2=O.
What is the InChIKey of 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one?
The InChIKey is RFMWMIWJVUAYJS-MHNVXMPPSA-N. The full InChI is InChI=1S/3C26H27N3O5/c3*1-17-5-10-22(25(31)27-17)29-14-21-20(26(29)32)3-2-4-23(21)34-15-19-8-6-18(7-9-19)13-28-11-12-33-16-24(28)30/h3*2-4,6-9,22H,1,5,10-16H2,(H,27,31)/i8D,9D,13D,15D2;6D,9D,13D,15D2;6D,8D,13D,15D2.
What are the key properties of 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one?
4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one has a molecular weight of 1399.65 g/mol, XLogP of 7.12, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[deuterio-[2,3-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[2,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one;4-[deuterio-[3,5-dideuterio-4-[dideuterio-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]methyl]phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 160611097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).