2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

C22H30N2O3 — CID 131654756

About 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 131654756) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
• PubChem CID: 131654756
• Molecular Formula: C22H30N2O3
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.23
• IUPAC Name: 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
• SMILES: Cc1cccc(COC2CCOC3(C2)CN(C(=O)CC2=CCCCC2)C3)n1
• InChI: InChI=1S/C22H30N2O3/c1-17-6-5-9-19(23-17)14-26-20-10-11-27-22(13-20)15-24(16-22)21(25)12-18-7-3-2-4-8-18/h5-7,9,20H,2-4,8,10-16H2,1H3
• InChIKey: DSUVBHUSFRFXSW-UHFFFAOYSA-N
• XLogP: 3.56
• 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	370.49
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The IUPAC name of 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 131654756) is 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The canonical SMILES for 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is Cc1cccc(COC2CCOC3(C2)CN(C(=O)CC2=CCCCC2)C3)n1.

What is the InChIKey of 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The InChIKey is DSUVBHUSFRFXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17-6-5-9-19(23-17)14-26-20-10-11-27-22(13-20)15-24(16-22)21(25)12-18-7-3-2-4-8-18/h5-7,9,20H,2-4,8,10-16H2,1H3.

What are the key properties of 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 370.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclohexen-1-yl)-1-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 131654756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).