methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate

C26H33NO5 — CID 157395801

About methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate

methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate (PubChem CID 157395801) has the molecular formula C26H33NO5 and a molecular weight of 439.55 g/mol. Its IUPAC name is methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate.

Molecular Properties

• Compound Name: methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate
• PubChem CID: 157395801
• Molecular Formula: C26H33NO5
• Molecular Weight: 439.55 g/mol
• Exact Mass: 439.24
• IUPAC Name: methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate
• SMILES: COC(=O)c1cc(OC)ccc1Oc1ccc(C(=O)CC2CC(C)(C)NC(C)(C)C2)cc1
• InChI: InChI=1S/C26H33NO5/c1-25(2)15-17(16-26(3,4)27-25)13-22(28)18-7-9-19(10-8-18)32-23-12-11-20(30-5)14-21(23)24(29)31-6/h7-12,14,17,27H,13,15-16H2,1-6H3
• InChIKey: ULALQWDKLFDLLL-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.55
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate?

The IUPAC name of methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate (CID 157395801) is methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate.

What is the SMILES notation for methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate?

The canonical SMILES for methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate is COC(=O)c1cc(OC)ccc1Oc1ccc(C(=O)CC2CC(C)(C)NC(C)(C)C2)cc1.

What is the InChIKey of methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate?

The InChIKey is ULALQWDKLFDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5/c1-25(2)15-17(16-26(3,4)27-25)13-22(28)18-7-9-19(10-8-18)32-23-12-11-20(30-5)14-21(23)24(29)31-6/h7-12,14,17,27H,13,15-16H2,1-6H3.

What are the key properties of methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate?

methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate has a molecular weight of 439.55 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate is sourced from PubChem (CID 157395801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).