[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone

C19H22N2O3S — CID 131656394

About [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone

[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone (PubChem CID 131656394) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

• Compound Name: [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
• PubChem CID: 131656394
• Molecular Formula: C19H22N2O3S
• Molecular Weight: 358.46 g/mol
• Exact Mass: 358.14
• IUPAC Name: [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
• SMILES: Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccsc2)C3)n1
• InChI: InChI=1S/C19H22N2O3S/c1-14-3-2-4-16(20-14)10-23-17-5-7-24-19(9-17)12-21(13-19)18(22)15-6-8-25-11-15/h2-4,6,8,11,17H,5,7,9-10,12-13H2,1H3
• InChIKey: IEPIQLSUKSVYJF-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.46
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?

The IUPAC name of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone (CID 131656394) is [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone.

What is the SMILES notation for [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?

The canonical SMILES for [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone is Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccsc2)C3)n1.

What is the InChIKey of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?

The InChIKey is IEPIQLSUKSVYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-3-2-4-16(20-14)10-23-17-5-7-24-19(9-17)12-21(13-19)18(22)15-6-8-25-11-15/h2-4,6,8,11,17H,5,7,9-10,12-13H2,1H3.

What are the key properties of [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?

[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 358.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 131656394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).