tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate

C40H71N3O10 — CID 18716423

About tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate

tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate (PubChem CID 18716423) has the molecular formula C40H71N3O10 and a molecular weight of 754.02 g/mol. Its IUPAC name is tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate.

Molecular Properties

• Compound Name: tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
• PubChem CID: 18716423
• Molecular Formula: C40H71N3O10
• Molecular Weight: 754.02 g/mol
• Exact Mass: 753.51
• IUPAC Name: tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
• SMILES: CON1C(C)(C)CC(OC(=O)CC(CC(CC(C)=O)C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C40H71N3O10/c1-26(44)17-27(33(46)52-30-22-37(6,7)42(49-15)38(8,9)23-30)18-28(34(47)53-31-24-39(10,11)43(50-16)40(12,13)25-31)19-32(45)51-29-20-35(2,3)41(48-14)36(4,5)21-29/h27-31H,17-25H2,1-16H3
• InChIKey: FTIIYTVDVZCNCT-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 133.38 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	754.02
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?

The IUPAC name of tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate (CID 18716423) is tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate.

What is the SMILES notation for tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?

The canonical SMILES for tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate is CON1C(C)(C)CC(OC(=O)CC(CC(CC(C)=O)C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.

What is the InChIKey of tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?

The InChIKey is FTIIYTVDVZCNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H71N3O10/c1-26(44)17-27(33(46)52-30-22-37(6,7)42(49-15)38(8,9)23-30)18-28(34(47)53-31-24-39(10,11)43(50-16)40(12,13)25-31)19-32(45)51-29-20-35(2,3)41(48-14)36(4,5)21-29/h27-31H,17-25H2,1-16H3.

What are the key properties of tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?

tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate has a molecular weight of 754.02 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate is sourced from PubChem (CID 18716423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).