3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H17N5O3 — CID 118763983

About 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118763983) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 118763983
• Molecular Formula: C17H17N5O3
• Molecular Weight: 339.36 g/mol
• Exact Mass: 339.13
• IUPAC Name: 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: Cc1nc(C2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)no1
• InChI: InChI=1S/C17H17N5O3/c1-11-19-15(20-25-11)12-5-4-7-21(10-12)16(23)13-9-18-14-6-2-3-8-22(14)17(13)24/h2-3,6,8-9,12H,4-5,7,10H2,1H3
• InChIKey: PZBCLQOKHCUMMY-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 93.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.36
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 118763983) is 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nc(C2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)no1.

What is the InChIKey of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is PZBCLQOKHCUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-19-15(20-25-11)12-5-4-7-21(10-12)16(23)13-9-18-14-6-2-3-8-22(14)17(13)24/h2-3,6,8-9,12H,4-5,7,10H2,1H3.

What are the key properties of 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 339.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118763983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).