1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone

C21H25N3O3 — CID 133142918

About 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone

1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone (PubChem CID 133142918) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone
• PubChem CID: 133142918
• Molecular Formula: C21H25N3O3
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.19
• IUPAC Name: 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone
• SMILES: Cc1cncc(COC2CCOC3(C2)CN(C(=O)Cc2ccccn2)C3)c1
• InChI: InChI=1S/C21H25N3O3/c1-16-8-17(12-22-11-16)13-26-19-5-7-27-21(10-19)14-24(15-21)20(25)9-18-4-2-3-6-23-18/h2-4,6,8,11-12,19H,5,7,9-10,13-15H2,1H3
• InChIKey: YXTMKOPFPARIMI-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 64.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone (CID 133142918) is 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone is Cc1cncc(COC2CCOC3(C2)CN(C(=O)Cc2ccccn2)C3)c1.

What is the InChIKey of 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone?

The InChIKey is YXTMKOPFPARIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-8-17(12-22-11-16)13-26-19-5-7-27-21(10-19)14-24(15-21)20(25)9-18-4-2-3-6-23-18/h2-4,6,8,11-12,19H,5,7,9-10,13-15H2,1H3.

What are the key properties of 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone?

1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone has a molecular weight of 367.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 133142918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).