(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate

C50H86N2O6 — CID 135266051

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate
SMILESCC(C)(C)CC(CC(C)(C)C)OC(=O)CCCCc1cc(CCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)ccc1CCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C50H86N2O6/c1-45(2,3)30-39(31-46(4,5)6)56-42(53)26-20-17-23-38-29-36(21-15-18-24-43(54)57-40-32-47(7,8)51-48(9,10)33-40)27-28-37(38)22-16-19-25-44(55)58-41-34-49(11,12)52-50(13,14)35-41/h27-29,39-41,51-52H,15-26,30-35H2,1-14H3
InChIKeyUUFPORCEZAILEF-UHFFFAOYSA-N
MW811.25 g/mol
LogP11.31
Rot. Bonds20

About (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate

(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate (PubChem CID 135266051) has the molecular formula C50H86N2O6 and a molecular weight of 811.25 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate
PubChem CID135266051
Molecular FormulaC50H86N2O6
Molecular Weight811.25 g/mol
Exact Mass810.65
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate
SMILESCC(C)(C)CC(CC(C)(C)C)OC(=O)CCCCc1cc(CCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)ccc1CCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C50H86N2O6/c1-45(2,3)30-39(31-46(4,5)6)56-42(53)26-20-17-23-38-29-36(21-15-18-24-43(54)57-40-32-47(7,8)51-48(9,10)33-40)27-28-37(38)22-16-19-25-44(55)58-41-34-49(11,12)52-50(13,14)35-41/h27-29,39-41,51-52H,15-26,30-35H2,1-14H3
InChIKeyUUFPORCEZAILEF-UHFFFAOYSA-N
XLogP11.31
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.25
LogP ≤ 511.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate (CID 135266051) is (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate is CC(C)(C)CC(CC(C)(C)C)OC(=O)CCCCc1cc(CCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)ccc1CCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate?
The InChIKey is UUFPORCEZAILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H86N2O6/c1-45(2,3)30-39(31-46(4,5)6)56-42(53)26-20-17-23-38-29-36(21-15-18-24-43(54)57-40-32-47(7,8)51-48(9,10)33-40)27-28-37(38)22-16-19-25-44(55)58-41-34-49(11,12)52-50(13,14)35-41/h27-29,39-41,51-52H,15-26,30-35H2,1-14H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate has a molecular weight of 811.25 g/mol, XLogP of 11.31, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 5-[3-[5-oxo-5-(2,2,6,6-tetramethylheptan-4-yloxy)pentyl]-4-[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate is sourced from PubChem (CID 135266051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).