1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid

C20H20N2O4 — CID 120514994

About 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid

1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 120514994) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
• PubChem CID: 120514994
• Molecular Formula: C20H20N2O4
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.14
• IUPAC Name: 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
• SMILES: O=C(O)C1CCCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1
• InChI: InChI=1S/C20H20N2O4/c23-19(22-7-2-1-3-17(22)20(24)25)16-10-15(11-21-12-16)13-4-5-18-14(9-13)6-8-26-18/h4-5,9-12,17H,1-3,6-8H2,(H,24,25)
• InChIKey: FAIYHRYFZPEICL-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?

The IUPAC name of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid (CID 120514994) is 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid.

What is the SMILES notation for 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?

The canonical SMILES for 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1.

What is the InChIKey of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?

The InChIKey is FAIYHRYFZPEICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(22-7-2-1-3-17(22)20(24)25)16-10-15(11-21-12-16)13-4-5-18-14(9-13)6-8-26-18/h4-5,9-12,17H,1-3,6-8H2,(H,24,25).

What are the key properties of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?

1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120514994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).