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

C27H39N3O4 — CID 146373549

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

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(5-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 146373549) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(5-propan-2-yloxy-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-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 146373549
• Molecular Formula: C27H39N3O4
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.29
• IUPAC Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(5-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1ncc(-c2ccc(OC(C)C)cn2)c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C27H39N3O4/c1-17(2)33-19-9-10-21(29-15-19)20-16-28-18(3)22(24(25(31)32)34-26(4,5)6)23(20)30-13-11-27(7,8)12-14-30/h9-10,15-17,24H,11-14H2,1-8H3,(H,31,32)
• InChIKey: WVSWTWIFRJWLNZ-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 84.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	5.81
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-propan-2-yloxy-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-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 146373549) is 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(5-propan-2-yloxy-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-propan-2-yloxy-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-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1ncc(-c2ccc(OC(C)C)cn2)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-(5-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is WVSWTWIFRJWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-17(2)33-19-9-10-21(29-15-19)20-16-28-18(3)22(24(25(31)32)34-26(4,5)6)23(20)30-13-11-27(7,8)12-14-30/h9-10,15-17,24H,11-14H2,1-8H3,(H,31,32).

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

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(5-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 469.63 g/mol, XLogP of 5.81, 7 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-propan-2-yloxy-2-pyridinyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 146373549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).