2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone

C20H29N3O3 — CID 133145049

About 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone

2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone (PubChem CID 133145049) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
• PubChem CID: 133145049
• Molecular Formula: C20H29N3O3
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.22
• IUPAC Name: 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
• SMILES: Cc1cccc(CN2CC3(CC(OCC(=O)N4CCCC4)CCO3)C2)n1
• InChI: InChI=1S/C20H29N3O3/c1-16-5-4-6-17(21-16)12-22-14-20(15-22)11-18(7-10-26-20)25-13-19(24)23-8-2-3-9-23/h4-6,18H,2-3,7-15H2,1H3
• InChIKey: NFCMJPYNXZGQCF-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone (CID 133145049) is 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone.

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

The canonical SMILES for 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone is Cc1cccc(CN2CC3(CC(OCC(=O)N4CCCC4)CCO3)C2)n1.

What is the InChIKey of 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone?

The InChIKey is NFCMJPYNXZGQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-5-4-6-17(21-16)12-22-14-20(15-22)11-18(7-10-26-20)25-13-19(24)23-8-2-3-9-23/h4-6,18H,2-3,7-15H2,1H3.

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

2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 359.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 133145049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).