3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C24H23N3O5 — CID 110236982

About 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 110236982) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 110236982
• Molecular Formula: C24H23N3O5
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.16
• IUPAC Name: 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1ccc2c(c1)C(=O)CC(C1CCCN(C(=O)c3cnc4ccccn4c3=O)C1)O2
• InChI: InChI=1S/C24H23N3O5/c1-31-16-7-8-20-17(11-16)19(28)12-21(32-20)15-5-4-9-26(14-15)23(29)18-13-25-22-6-2-3-10-27(22)24(18)30/h2-3,6-8,10-11,13,15,21H,4-5,9,12,14H2,1H3
• InChIKey: OQDZMNLCTAWMSX-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 90.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 110236982) is 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc2c(c1)C(=O)CC(C1CCCN(C(=O)c3cnc4ccccn4c3=O)C1)O2.

What is the InChIKey of 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is OQDZMNLCTAWMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-31-16-7-8-20-17(11-16)19(28)12-21(32-20)15-5-4-9-26(14-15)23(29)18-13-25-22-6-2-3-10-27(22)24(18)30/h2-3,6-8,10-11,13,15,21H,4-5,9,12,14H2,1H3.

What are the key properties of 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 433.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 110236982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).