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

C33H43N3O4 — CID 146373635

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

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 146373635) has the molecular formula C33H43N3O4 and a molecular weight of 545.72 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-[2-(4-methylphenyl)ethoxy]-2-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-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 146373635
• Molecular Formula: C33H43N3O4
• Molecular Weight: 545.72 g/mol
• Exact Mass: 545.33
• IUPAC Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1ccc(CCOc2ccc(-c3cnc(C)c(C(OC(C)(C)C)C(=O)O)c3N3CCC(C)(C)CC3)nc2)cc1
• InChI: InChI=1S/C33H43N3O4/c1-22-8-10-24(11-9-22)14-19-39-25-12-13-27(35-20-25)26-21-34-23(2)28(30(31(37)38)40-32(3,4)5)29(26)36-17-15-33(6,7)16-18-36/h8-13,20-21,30H,14-19H2,1-7H3,(H,37,38)
• InChIKey: BDNJKUWAQLEMGA-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 84.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.72
LogP ≤ 5	6.95
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-[2-(4-methylphenyl)ethoxy]-2-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-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 146373635) is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-[2-(4-methylphenyl)ethoxy]-2-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-[2-(4-methylphenyl)ethoxy]-2-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-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1ccc(CCOc2ccc(-c3cnc(C)c(C(OC(C)(C)C)C(=O)O)c3N3CCC(C)(C)CC3)nc2)cc1.

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

The InChIKey is BDNJKUWAQLEMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O4/c1-22-8-10-24(11-9-22)14-19-39-25-12-13-27(35-20-25)26-21-34-23(2)28(30(31(37)38)40-32(3,4)5)29(26)36-17-15-33(6,7)16-18-36/h8-13,20-21,30H,14-19H2,1-7H3,(H,37,38).

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

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 545.72 g/mol, XLogP of 6.95, 9 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-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 146373635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).