2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C29H43N3O4 — CID 146373562

About 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 146373562) has the molecular formula C29H43N3O4 and a molecular weight of 497.68 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 146373562
• Molecular Formula: C29H43N3O4
• Molecular Weight: 497.68 g/mol
• Exact Mass: 497.33
• IUPAC Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc(-c2cnc(C)c(C(OC(C)(C)C)C(=O)O)c2N2CCC(C)(C)CC2)cnc1OCC(C)C
• InChI: InChI=1S/C29H43N3O4/c1-18(2)17-35-26-19(3)14-21(15-31-26)22-16-30-20(4)23(25(27(33)34)36-28(5,6)7)24(22)32-12-10-29(8,9)11-13-32/h14-16,18,25H,10-13,17H2,1-9H3,(H,33,34)
• InChIKey: YFTDIKWPBGJZPX-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 84.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.68
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 146373562) is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc(-c2cnc(C)c(C(OC(C)(C)C)C(=O)O)c2N2CCC(C)(C)CC2)cnc1OCC(C)C.

What is the InChIKey of 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is YFTDIKWPBGJZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O4/c1-18(2)17-35-26-19(3)14-21(15-31-26)22-16-30-20(4)23(25(27(33)34)36-28(5,6)7)24(22)32-12-10-29(8,9)11-13-32/h14-16,18,25H,10-13,17H2,1-9H3,(H,33,34).

What are the key properties of 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 497.68 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 146373562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).