[3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate

C51H84N4O7 — CID 139317295

IUPAC[3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCCN1C(C)(C)CC(C(=O)Oc2cc(OC(=O)C3CC(C)(C)NC(C)(C)C3)c(CC(=O)C3CC(C)(C)NC(C)(C)C3)c(OC(=O)C3CC(C)(C)N(CC)C(C)(C)C3)c2)CC1(C)C
InChIInChI=1S/C51H84N4O7/c1-19-54-48(11,12)28-34(29-49(54,13)14)41(57)60-36-21-39(61-42(58)33-26-46(7,8)53-47(9,10)27-33)37(23-38(56)32-24-44(3,4)52-45(5,6)25-32)40(22-36)62-43(59)35-30-50(15,16)55(20-2)51(17,18)31-35/h21-22,32-35,52-53H,19-20,23-31H2,1-18H3
InChIKeyNRSLLZQXYZARLE-UHFFFAOYSA-N
MW865.25 g/mol
LogP9.21
Rot. Bonds11

About [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate

[3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 139317295) has the molecular formula C51H84N4O7 and a molecular weight of 865.25 g/mol. Its IUPAC name is [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID139317295
Molecular FormulaC51H84N4O7
Molecular Weight865.25 g/mol
Exact Mass864.63
IUPAC Name[3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCCN1C(C)(C)CC(C(=O)Oc2cc(OC(=O)C3CC(C)(C)NC(C)(C)C3)c(CC(=O)C3CC(C)(C)NC(C)(C)C3)c(OC(=O)C3CC(C)(C)N(CC)C(C)(C)C3)c2)CC1(C)C
InChIInChI=1S/C51H84N4O7/c1-19-54-48(11,12)28-34(29-49(54,13)14)41(57)60-36-21-39(61-42(58)33-26-46(7,8)53-47(9,10)27-33)37(23-38(56)32-24-44(3,4)52-45(5,6)25-32)40(22-36)62-43(59)35-30-50(15,16)55(20-2)51(17,18)31-35/h21-22,32-35,52-53H,19-20,23-31H2,1-18H3
InChIKeyNRSLLZQXYZARLE-UHFFFAOYSA-N
XLogP9.21
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.25
LogP ≤ 59.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 139317295) is [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate is CCN1C(C)(C)CC(C(=O)Oc2cc(OC(=O)C3CC(C)(C)NC(C)(C)C3)c(CC(=O)C3CC(C)(C)NC(C)(C)C3)c(OC(=O)C3CC(C)(C)N(CC)C(C)(C)C3)c2)CC1(C)C.
What is the InChIKey of [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is NRSLLZQXYZARLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H84N4O7/c1-19-54-48(11,12)28-34(29-49(54,13)14)41(57)60-36-21-39(61-42(58)33-26-46(7,8)53-47(9,10)27-33)37(23-38(56)32-24-44(3,4)52-45(5,6)25-32)40(22-36)62-43(59)35-30-50(15,16)55(20-2)51(17,18)31-35/h21-22,32-35,52-53H,19-20,23-31H2,1-18H3.
What are the key properties of [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate?
[3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 865.25 g/mol, XLogP of 9.21, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethyl-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy-4-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-5-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyphenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 139317295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).