3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate

C83H142N6O20 — CID 21305851

IUPAC3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate
SMILESCC1(C)CC(OC(=O)C(CC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)OC3)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C83H142N6O20/c1-69(2,43-98-57(90)29-55(61(92)104-49-31-71(5,6)84-72(7,8)32-49)59(63(94)106-51-35-75(13,14)86-76(15,16)36-51)64(95)107-52-37-77(17,18)87-78(19,20)38-52)67-100-45-83(46-101-67)47-102-68(103-48-83)70(3,4)44-99-58(91)30-56(62(93)105-50-33-73(9,10)85-74(11,12)34-50)60(65(96)108-53-39-79(21,22)88-80(23,24)40-53)66(97)109-54-41-81(25,26)89-82(27,28)42-54/h49-56,59-60,67-68,84-89H,29-48H2,1-28H3
InChIKeyGRZKOBPIVNHAPR-UHFFFAOYSA-N
MW1544.07 g/mol
LogP10.22
Rot. Bonds24

About 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate

3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate (PubChem CID 21305851) has the molecular formula C83H142N6O20 and a molecular weight of 1544.07 g/mol. Its IUPAC name is 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate.

Molecular Properties

Compound Name3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate
PubChem CID21305851
Molecular FormulaC83H142N6O20
Molecular Weight1544.07 g/mol
Exact Mass1543.03
IUPAC Name3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate
SMILESCC1(C)CC(OC(=O)C(CC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)OC3)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C83H142N6O20/c1-69(2,43-98-57(90)29-55(61(92)104-49-31-71(5,6)84-72(7,8)32-49)59(63(94)106-51-35-75(13,14)86-76(15,16)36-51)64(95)107-52-37-77(17,18)87-78(19,20)38-52)67-100-45-83(46-101-67)47-102-68(103-48-83)70(3,4)44-99-58(91)30-56(62(93)105-50-33-73(9,10)85-74(11,12)34-50)60(65(96)108-53-39-79(21,22)88-80(23,24)40-53)66(97)109-54-41-81(25,26)89-82(27,28)42-54/h49-56,59-60,67-68,84-89H,29-48H2,1-28H3
InChIKeyGRZKOBPIVNHAPR-UHFFFAOYSA-N
XLogP10.22
TPSA319.50 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001544.07
LogP ≤ 510.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate?
The IUPAC name of 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate (CID 21305851) is 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate.
What is the SMILES notation for 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate?
The canonical SMILES for 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate is CC1(C)CC(OC(=O)C(CC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)OC3)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate?
The InChIKey is GRZKOBPIVNHAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H142N6O20/c1-69(2,43-98-57(90)29-55(61(92)104-49-31-71(5,6)84-72(7,8)32-49)59(63(94)106-51-35-75(13,14)86-76(15,16)36-51)64(95)107-52-37-77(17,18)87-78(19,20)38-52)67-100-45-83(46-101-67)47-102-68(103-48-83)70(3,4)44-99-58(91)30-56(62(93)105-50-33-73(9,10)85-74(11,12)34-50)60(65(96)108-53-39-79(21,22)88-80(23,24)40-53)66(97)109-54-41-81(25,26)89-82(27,28)42-54/h49-56,59-60,67-68,84-89H,29-48H2,1-28H3.
What are the key properties of 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate?
3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate has a molecular weight of 1544.07 g/mol, XLogP of 10.22, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-[2-methyl-2-[3-[2-methyl-1-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) propane-1,1,2,3-tetracarboxylate is sourced from PubChem (CID 21305851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).