1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate

C33H59N3O6 — CID 139527487

IUPAC1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
SMILESCCC1C(C)NC(C)(C)CC1OC(=O)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C33H59N3O6/c1-13-23-20(2)34-29(3,4)19-25(23)42-28(39)24(27(38)41-22-17-32(9,10)36-33(11,12)18-22)14-26(37)40-21-15-30(5,6)35-31(7,8)16-21/h20-25,34-36H,13-19H2,1-12H3
InChIKeyUYKDWHXPZHZEIJ-UHFFFAOYSA-N
MW593.85 g/mol
LogP4.80
Rot. Bonds8

About 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate

1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate (PubChem CID 139527487) has the molecular formula C33H59N3O6 and a molecular weight of 593.85 g/mol. Its IUPAC name is 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate.

Molecular Properties

Compound Name1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
PubChem CID139527487
Molecular FormulaC33H59N3O6
Molecular Weight593.85 g/mol
Exact Mass593.44
IUPAC Name1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
SMILESCCC1C(C)NC(C)(C)CC1OC(=O)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C33H59N3O6/c1-13-23-20(2)34-29(3,4)19-25(23)42-28(39)24(27(38)41-22-17-32(9,10)36-33(11,12)18-22)14-26(37)40-21-15-30(5,6)35-31(7,8)16-21/h20-25,34-36H,13-19H2,1-12H3
InChIKeyUYKDWHXPZHZEIJ-UHFFFAOYSA-N
XLogP4.80
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.85
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate
CID 58175134
Bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate
CID 70869077
3-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate
CID 121244446
1-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 3-O-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) propanedioate
CID 121244447
Bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) propanedioate
CID 121244448
1-O-[2,6-di(propan-2-yl)piperidin-4-yl] 3-O-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) propanedioate
CID 121244450
Bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate
CID 121244452
Bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
CID 121244479
Bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate
CID 121244480
4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
CID 121244510
1-O-[2,6-di(propan-2-yl)piperidin-4-yl] 4-O-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate
CID 121244511
1-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 4-O-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate
CID 121244512

Frequently Asked Questions

What is the IUPAC name of 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate?
The IUPAC name of 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate (CID 139527487) is 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate.
What is the SMILES notation for 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate?
The canonical SMILES for 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate is CCC1C(C)NC(C)(C)CC1OC(=O)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate?
The InChIKey is UYKDWHXPZHZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H59N3O6/c1-13-23-20(2)34-29(3,4)19-25(23)42-28(39)24(27(38)41-22-17-32(9,10)36-33(11,12)18-22)14-26(37)40-21-15-30(5,6)35-31(7,8)16-21/h20-25,34-36H,13-19H2,1-12H3.
What are the key properties of 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate?
1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate has a molecular weight of 593.85 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate is sourced from PubChem (CID 139527487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).