1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one

C23H23N3O5 — CID 172668075

About 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one

1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 172668075) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one
• PubChem CID: 172668075
• Molecular Formula: C23H23N3O5
• Molecular Weight: 421.45 g/mol
• Exact Mass: 421.16
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one
• SMILES: Cc1cc(C2CCCCN2C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)no1
• InChI: InChI=1S/C23H23N3O5/c1-14-8-10-25(16-6-7-19-20(12-16)30-13-29-19)22(27)21(14)23(28)26-9-4-3-5-18(26)17-11-15(2)31-24-17/h6-8,10-12,18H,3-5,9,13H2,1-2H3
• InChIKey: NTMTUBJEKGQWJC-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 86.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.45
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one (CID 172668075) is 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one is Cc1cc(C2CCCCN2C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)no1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one?

The InChIKey is NTMTUBJEKGQWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14-8-10-25(16-6-7-19-20(12-16)30-13-29-19)22(27)21(14)23(28)26-9-4-3-5-18(26)17-11-15(2)31-24-17/h6-8,10-12,18H,3-5,9,13H2,1-2H3.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one?

1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 421.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172668075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).