ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate

C26H29N3O5 — CID 42782887

About ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 42782887) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate
• PubChem CID: 42782887
• Molecular Formula: C26H29N3O5
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.21
• IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3cccc(C)n23)CC1
• InChI: InChI=1S/C26H29N3O5/c1-3-32-26(31)18-9-11-28(12-10-18)25(30)14-20(19-7-8-22-23(13-19)34-16-33-22)21-15-27-24-6-4-5-17(2)29(21)24/h4-8,13,15,18,20H,3,9-12,14,16H2,1-2H3
• InChIKey: CNXVLIJFHGMGFE-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 82.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate (CID 42782887) is ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3cccc(C)n23)CC1.

What is the InChIKey of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate?

The InChIKey is CNXVLIJFHGMGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-3-32-26(31)18-9-11-28(12-10-18)25(30)14-20(19-7-8-22-23(13-19)34-16-33-22)21-15-27-24-6-4-5-17(2)29(21)24/h4-8,13,15,18,20H,3,9-12,14,16H2,1-2H3.

What are the key properties of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate?

ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 463.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 42782887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).