[4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate

C51H56N4O8 — CID 19003316

IUPAC[4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate
SMILESCC1(C)CC(N2C(=O)c3ccc(C(=O)Oc4ccc(C(C)(C)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(C6CC(C)(C)NC(C)(C)C6)C7=O)cc5)cc4)cc3C2=O)CC(C)(C)N1
InChIInChI=1S/C51H56N4O8/c1-47(2)25-33(26-48(3,4)52-47)54-41(56)37-21-11-29(23-39(37)43(54)58)45(60)62-35-17-13-31(14-18-35)51(9,10)32-15-19-36(20-16-32)63-46(61)30-12-22-38-40(24-30)44(59)55(42(38)57)34-27-49(5,6)53-50(7,8)28-34/h11-24,33-34,52-53H,25-28H2,1-10H3
InChIKeyIXKOYVCOUPONNE-UHFFFAOYSA-N
MW853.03 g/mol
LogP8.26
Rot. Bonds8

About [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate

[4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate (PubChem CID 19003316) has the molecular formula C51H56N4O8 and a molecular weight of 853.03 g/mol. Its IUPAC name is [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate.

Molecular Properties

Compound Name[4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate
PubChem CID19003316
Molecular FormulaC51H56N4O8
Molecular Weight853.03 g/mol
Exact Mass852.41
IUPAC Name[4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate
SMILESCC1(C)CC(N2C(=O)c3ccc(C(=O)Oc4ccc(C(C)(C)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(C6CC(C)(C)NC(C)(C)C6)C7=O)cc5)cc4)cc3C2=O)CC(C)(C)N1
InChIInChI=1S/C51H56N4O8/c1-47(2)25-33(26-48(3,4)52-47)54-41(56)37-21-11-29(23-39(37)43(54)58)45(60)62-35-17-13-31(14-18-35)51(9,10)32-15-19-36(20-16-32)63-46(61)30-12-22-38-40(24-30)44(59)55(42(38)57)34-27-49(5,6)53-50(7,8)28-34/h11-24,33-34,52-53H,25-28H2,1-10H3
InChIKeyIXKOYVCOUPONNE-UHFFFAOYSA-N
XLogP8.26
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.03
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
The IUPAC name of [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate (CID 19003316) is [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate.
What is the SMILES notation for [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
The canonical SMILES for [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate is CC1(C)CC(N2C(=O)c3ccc(C(=O)Oc4ccc(C(C)(C)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(C6CC(C)(C)NC(C)(C)C6)C7=O)cc5)cc4)cc3C2=O)CC(C)(C)N1.
What is the InChIKey of [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
The InChIKey is IXKOYVCOUPONNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N4O8/c1-47(2)25-33(26-48(3,4)52-47)54-41(56)37-21-11-29(23-39(37)43(54)58)45(60)62-35-17-13-31(14-18-35)51(9,10)32-15-19-36(20-16-32)63-46(61)30-12-22-38-40(24-30)44(59)55(42(38)57)34-27-49(5,6)53-50(7,8)28-34/h11-24,33-34,52-53H,25-28H2,1-10H3.
What are the key properties of [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate?
[4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate has a molecular weight of 853.03 g/mol, XLogP of 8.26, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate is sourced from PubChem (CID 19003316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).