7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H23N3O4 — CID 175642186

About 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175642186) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175642186
• Molecular Formula: C21H23N3O4
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.17
• IUPAC Name: 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)C2)c(O)c1
• InChI: InChI=1S/C21H23N3O4/c1-28-16-5-6-17(18(25)12-16)19(26)24-11-8-21(14-24)7-10-23(20(21)27)13-15-4-2-3-9-22-15/h2-6,9,12,25H,7-8,10-11,13-14H2,1H3
• InChIKey: CGTKJKKXAGVLLH-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 82.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175642186) is 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)C2)c(O)c1.

What is the InChIKey of 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is CGTKJKKXAGVLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-28-16-5-6-17(18(25)12-16)19(26)24-11-8-21(14-24)7-10-23(20(21)27)13-15-4-2-3-9-22-15/h2-6,9,12,25H,7-8,10-11,13-14H2,1H3.

What are the key properties of 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 381.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175642186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).