5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C20H26N4O3 — CID 72897928

About 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 72897928) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 72897928
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: CC(=O)c1cc(C(=O)N2CCCC(c3nccn3C(C)C)C2)c(=O)[nH]c1C
• InChI: InChI=1S/C20H26N4O3/c1-12(2)24-9-7-21-18(24)15-6-5-8-23(11-15)20(27)17-10-16(14(4)25)13(3)22-19(17)26/h7,9-10,12,15H,5-6,8,11H2,1-4H3,(H,22,26)
• InChIKey: OFEWBEKDZQNGEF-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 88.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 72897928) is 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC(=O)c1cc(C(=O)N2CCCC(c3nccn3C(C)C)C2)c(=O)[nH]c1C.

What is the InChIKey of 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is OFEWBEKDZQNGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12(2)24-9-7-21-18(24)15-6-5-8-23(11-15)20(27)17-10-16(14(4)25)13(3)22-19(17)26/h7,9-10,12,15H,5-6,8,11H2,1-4H3,(H,22,26).

What are the key properties of 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 72897928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).