tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C44H78N4O8 — CID 19741801

IUPACtetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1CC(OC(=O)CC(C(=O)OC2CC(C)N(C)C(C)(C)C2)C(CC(=O)OC2CC(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)N(C)C(C)(C)C2)CC(C)(C)N1C
InChIInChI=1S/C44H78N4O8/c1-27-17-31(23-41(5,6)45(27)13)53-37(49)21-35(39(51)55-33-19-29(3)47(15)43(9,10)25-33)36(40(52)56-34-20-30(4)48(16)44(11,12)26-34)22-38(50)54-32-18-28(2)46(14)42(7,8)24-32/h27-36H,17-26H2,1-16H3
InChIKeyAULAFQWUVAZTQR-UHFFFAOYSA-N
MW791.13 g/mol
LogP6.22
Rot. Bonds11

About tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 19741801) has the molecular formula C44H78N4O8 and a molecular weight of 791.13 g/mol. Its IUPAC name is tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID19741801
Molecular FormulaC44H78N4O8
Molecular Weight791.13 g/mol
Exact Mass790.58
IUPAC Nametetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1CC(OC(=O)CC(C(=O)OC2CC(C)N(C)C(C)(C)C2)C(CC(=O)OC2CC(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)N(C)C(C)(C)C2)CC(C)(C)N1C
InChIInChI=1S/C44H78N4O8/c1-27-17-31(23-41(5,6)45(27)13)53-37(49)21-35(39(51)55-33-19-29(3)47(15)43(9,10)25-33)36(40(52)56-34-20-30(4)48(16)44(11,12)26-34)22-38(50)54-32-18-28(2)46(14)42(7,8)24-32/h27-36H,17-26H2,1-16H3
InChIKeyAULAFQWUVAZTQR-UHFFFAOYSA-N
XLogP6.22
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.13
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tetrakis(1,2,2,6-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 tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 19741801) is tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CC1CC(OC(=O)CC(C(=O)OC2CC(C)N(C)C(C)(C)C2)C(CC(=O)OC2CC(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)N(C)C(C)(C)C2)CC(C)(C)N1C.
What is the InChIKey of tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is AULAFQWUVAZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78N4O8/c1-27-17-31(23-41(5,6)45(27)13)53-37(49)21-35(39(51)55-33-19-29(3)47(15)43(9,10)25-33)36(40(52)56-34-20-30(4)48(16)44(11,12)26-34)22-38(50)54-32-18-28(2)46(14)42(7,8)24-32/h27-36H,17-26H2,1-16H3.
What are the key properties of tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 791.13 g/mol, XLogP of 6.22, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,2,2,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 19741801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).