1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate

C41H72N4O8 — CID 118912004

IUPAC1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate
SMILESCN1CC(OC(=O)C(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)CC(C)(C)C1
InChIInChI=1S/C41H72N4O8/c1-35(2)16-28(23-45(15)24-35)53-34(49)30(33(48)52-27-21-40(11,12)44-41(13,14)22-27)29(31(46)50-25-17-36(3,4)42-37(5,6)18-25)32(47)51-26-19-38(7,8)43-39(9,10)20-26/h25-30,42-44H,16-24H2,1-15H3
InChIKeyJPAZPIHOHPMROC-UHFFFAOYSA-N
MW749.05 g/mol
LogP5.05
Rot. Bonds9

About 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate

1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate (PubChem CID 118912004) has the molecular formula C41H72N4O8 and a molecular weight of 749.05 g/mol. Its IUPAC name is 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Name1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate
PubChem CID118912004
Molecular FormulaC41H72N4O8
Molecular Weight749.05 g/mol
Exact Mass748.54
IUPAC Name1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate
SMILESCN1CC(OC(=O)C(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)CC(C)(C)C1
InChIInChI=1S/C41H72N4O8/c1-35(2)16-28(23-45(15)24-35)53-34(49)30(33(48)52-27-21-40(11,12)44-41(13,14)22-27)29(31(46)50-25-17-36(3,4)42-37(5,6)18-25)32(47)51-26-19-38(7,8)43-39(9,10)20-26/h25-30,42-44H,16-24H2,1-15H3
InChIKeyJPAZPIHOHPMROC-UHFFFAOYSA-N
XLogP5.05
TPSA144.53 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.05
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate?
The IUPAC name of 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate (CID 118912004) is 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate.
What is the SMILES notation for 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate?
The canonical SMILES for 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate is CN1CC(OC(=O)C(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)CC(C)(C)C1.
What is the InChIKey of 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate?
The InChIKey is JPAZPIHOHPMROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H72N4O8/c1-35(2)16-28(23-45(15)24-35)53-34(49)30(33(48)52-27-21-40(11,12)44-41(13,14)22-27)29(31(46)50-25-17-36(3,4)42-37(5,6)18-25)32(47)51-26-19-38(7,8)43-39(9,10)20-26/h25-30,42-44H,16-24H2,1-15H3.
What are the key properties of 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate?
1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate has a molecular weight of 749.05 g/mol, XLogP of 5.05, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 2-O-(1,5,5-trimethylpiperidin-3-yl) ethane-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 118912004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).