[3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate

C42H54N4O11 — CID 54464966

IUPAC[3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate
SMILESCC1(C)CC(N2C(=O)c3ccc(C(=O)OCC(O)COCC(O)COC(=O)c4ccc5c(c4)C(=O)N(C4CC(C)(C)NC(C)(C)C4)C5=O)cc3C2=O)CC(C)(C)N1
InChIInChI=1S/C42H54N4O11/c1-39(2)15-25(16-40(3,4)43-39)45-33(49)29-11-9-23(13-31(29)35(45)51)37(53)56-21-27(47)19-55-20-28(48)22-57-38(54)24-10-12-30-32(14-24)36(52)46(34(30)50)26-17-41(5,6)44-42(7,8)18-26/h9-14,25-28,43-44,47-48H,15-22H2,1-8H3
InChIKeyXEEPUTMKNCCPFW-UHFFFAOYSA-N
MW790.91 g/mol
LogP3.25
Rot. Bonds12

About [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate

[3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate (PubChem CID 54464966) has the molecular formula C42H54N4O11 and a molecular weight of 790.91 g/mol. Its IUPAC name is [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate.

Molecular Properties

Compound Name[3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate
PubChem CID54464966
Molecular FormulaC42H54N4O11
Molecular Weight790.91 g/mol
Exact Mass790.38
IUPAC Name[3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate
SMILESCC1(C)CC(N2C(=O)c3ccc(C(=O)OCC(O)COCC(O)COC(=O)c4ccc5c(c4)C(=O)N(C4CC(C)(C)NC(C)(C)C4)C5=O)cc3C2=O)CC(C)(C)N1
InChIInChI=1S/C42H54N4O11/c1-39(2)15-25(16-40(3,4)43-39)45-33(49)29-11-9-23(13-31(29)35(45)51)37(53)56-21-27(47)19-55-20-28(48)22-57-38(54)24-10-12-30-32(14-24)36(52)46(34(30)50)26-17-41(5,6)44-42(7,8)18-26/h9-14,25-28,43-44,47-48H,15-22H2,1-8H3
InChIKeyXEEPUTMKNCCPFW-UHFFFAOYSA-N
XLogP3.25
TPSA201.11 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.91
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl bromide
CID 19003320
N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide
CID 19003324
dimethyl 2-[[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]methylidene]propanedioate
CID 19003282
1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate
CID 75417597
[2-(4-methylphenyl)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 1216638
2-methylpropyl 2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 827675
decyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 3112633
[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 51467731
[(2S)-1-amino-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 7738739
2-hydroxybutyl 1,3-dioxo-2-(4-prop-2-enoxyphenyl)isoindole-5-carboxylate
CID 170224697
pyridin-2-ylmethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 43008844
[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 40834208

Frequently Asked Questions

What is the IUPAC name of [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
The IUPAC name of [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate (CID 54464966) is [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate.
What is the SMILES notation for [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
The canonical SMILES for [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate is CC1(C)CC(N2C(=O)c3ccc(C(=O)OCC(O)COCC(O)COC(=O)c4ccc5c(c4)C(=O)N(C4CC(C)(C)NC(C)(C)C4)C5=O)cc3C2=O)CC(C)(C)N1.
What is the InChIKey of [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
The InChIKey is XEEPUTMKNCCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54N4O11/c1-39(2)15-25(16-40(3,4)43-39)45-33(49)29-11-9-23(13-31(29)35(45)51)37(53)56-21-27(47)19-55-20-28(48)22-57-38(54)24-10-12-30-32(14-24)36(52)46(34(30)50)26-17-41(5,6)44-42(7,8)18-26/h9-14,25-28,43-44,47-48H,15-22H2,1-8H3.
What are the key properties of [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
[3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate has a molecular weight of 790.91 g/mol, XLogP of 3.25, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate is sourced from PubChem (CID 54464966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).