1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C21H19Cl2N3O3 — CID 55818612

About 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55818612) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 55818612
• Molecular Formula: C21H19Cl2N3O3
• Molecular Weight: 432.31 g/mol
• Exact Mass: 431.08
• IUPAC Name: 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1c(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)oc2c(Cl)cccc12
• InChI: InChI=1S/C21H19Cl2N3O3/c1-12-15-5-2-6-16(23)19(15)29-18(12)21(28)26-9-3-4-13(11-26)20(27)25-17-8-7-14(22)10-24-17/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,24,25,27)
• InChIKey: VJKGNOFLWZTHBZ-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.31
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 55818612) is 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is Cc1c(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)oc2c(Cl)cccc12.

What is the InChIKey of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is VJKGNOFLWZTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-12-15-5-2-6-16(23)19(15)29-18(12)21(28)26-9-3-4-13(11-26)20(27)25-17-8-7-14(22)10-24-17/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,24,25,27).

What are the key properties of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 432.31 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55818612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).