1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C47H84N4O8 — CID 90201752

IUPAC1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCN1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C47H84N4O8/c1-40(2)22-30(23-41(3,4)48-40)58-38(54)34(20-36(52)56-31-24-42(5,6)49(17)43(7,8)25-31)35(39(55)59-33-28-46(13,14)51(19)47(15,16)29-33)21-37(53)57-32-26-44(9,10)50(18)45(11,12)27-32/h30-35,48H,20-29H2,1-19H3
InChIKeyJDZVOTYDHXHYMZ-UHFFFAOYSA-N
MW833.21 g/mol
LogP7.44
Rot. Bonds11

About 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 90201752) has the molecular formula C47H84N4O8 and a molecular weight of 833.21 g/mol. Its IUPAC name is 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Name1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID90201752
Molecular FormulaC47H84N4O8
Molecular Weight833.21 g/mol
Exact Mass832.63
IUPAC Name1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCN1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C47H84N4O8/c1-40(2)22-30(23-41(3,4)48-40)58-38(54)34(20-36(52)56-31-24-42(5,6)49(17)43(7,8)25-31)35(39(55)59-33-28-46(13,14)51(19)47(15,16)29-33)21-37(53)57-32-26-44(9,10)50(18)45(11,12)27-32/h30-35,48H,20-29H2,1-19H3
InChIKeyJDZVOTYDHXHYMZ-UHFFFAOYSA-N
XLogP7.44
TPSA126.95 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.21
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-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 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 90201752) is 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CN1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is JDZVOTYDHXHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H84N4O8/c1-40(2)22-30(23-41(3,4)48-40)58-38(54)34(20-36(52)56-31-24-42(5,6)49(17)43(7,8)25-31)35(39(55)59-33-28-46(13,14)51(19)47(15,16)29-33)21-37(53)57-32-26-44(9,10)50(18)45(11,12)27-32/h30-35,48H,20-29H2,1-19H3.
What are the key properties of 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 833.21 g/mol, XLogP of 7.44, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O,3-O,4-O-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 90201752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).