2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

C22H26N2O3 — CID 124796331

About 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 124796331) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
• PubChem CID: 124796331
• Molecular Formula: C22H26N2O3
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.19
• IUPAC Name: 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
• SMILES: Cc1ccc(CC(=O)N2CC3(C[C@H](OCc4cccnc4)CCO3)C2)cc1
• InChI: InChI=1S/C22H26N2O3/c1-17-4-6-18(7-5-17)11-21(25)24-15-22(16-24)12-20(8-10-27-22)26-14-19-3-2-9-23-13-19/h2-7,9,13,20H,8,10-12,14-16H2,1H3/t20-/m1/s1
• InChIKey: UNVZDYHBJIHVMK-HXUWFJFHSA-N
• XLogP: 2.91
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The IUPAC name of 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 124796331) is 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

What is the SMILES notation for 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The canonical SMILES for 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is Cc1ccc(CC(=O)N2CC3(C[C@H](OCc4cccnc4)CCO3)C2)cc1.

What is the InChIKey of 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The InChIKey is UNVZDYHBJIHVMK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-4-6-18(7-5-17)11-21(25)24-15-22(16-24)12-20(8-10-27-22)26-14-19-3-2-9-23-13-19/h2-7,9,13,20H,8,10-12,14-16H2,1H3/t20-/m1/s1.

What are the key properties of 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 366.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 124796331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).