6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one

C21H30N4O2 — CID 77096988

About 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one

6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 77096988) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
• PubChem CID: 77096988
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
• SMILES: CCc1c(C)cc(C(=O)N2CCCC(c3nccn3C(C)C)C2)c(=O)n1C
• InChI: InChI=1S/C21H30N4O2/c1-6-18-15(4)12-17(20(26)23(18)5)21(27)24-10-7-8-16(13-24)19-22-9-11-25(19)14(2)3/h9,11-12,14,16H,6-8,10,13H2,1-5H3
• InChIKey: ZZVCDDZUOJFQES-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 60.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one (CID 77096988) is 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one.

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

The canonical SMILES for 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one is CCc1c(C)cc(C(=O)N2CCCC(c3nccn3C(C)C)C2)c(=O)n1C.

What is the InChIKey of 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?

The InChIKey is ZZVCDDZUOJFQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-6-18-15(4)12-17(20(26)23(18)5)21(27)24-10-7-8-16(13-24)19-22-9-11-25(19)14(2)3/h9,11-12,14,16H,6-8,10,13H2,1-5H3.

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

6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 370.50 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 77096988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).