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

C24H33N3O3 — CID 146373326

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

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 146373326) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 146373326
• Molecular Formula: C24H33N3O3
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.25
• IUPAC Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1ncc(-c2ccccn2)c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C24H33N3O3/c1-16-19(21(22(28)29)30-23(2,3)4)20(27-13-10-24(5,6)11-14-27)17(15-26-16)18-9-7-8-12-25-18/h7-9,12,15,21H,10-11,13-14H2,1-6H3,(H,28,29)
• InChIKey: NNBXESRMPSIOEZ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 75.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 146373326) is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-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-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1ncc(-c2ccccn2)c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O.

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

The InChIKey is NNBXESRMPSIOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16-19(21(22(28)29)30-23(2,3)4)20(27-13-10-24(5,6)11-14-27)17(15-26-16)18-9-7-8-12-25-18/h7-9,12,15,21H,10-11,13-14H2,1-6H3,(H,28,29).

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

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 411.55 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-pyridin-2-yl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 146373326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).