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

C20H26N2O3 — CID 131662587

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

cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131662587) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131662587
• Molecular Formula: C20H26N2O3
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.19
• IUPAC Name: cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1cccc(COC2CCOC3(C2)CN(C(=O)C2=CCCC2)C3)n1
• InChI: InChI=1S/C20H26N2O3/c1-15-5-4-8-17(21-15)12-24-18-9-10-25-20(11-18)13-22(14-20)19(23)16-6-2-3-7-16/h4-6,8,18H,2-3,7,9-14H2,1H3
• InChIKey: WJDQTTUNDBBGAY-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131662587) is cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

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

The canonical SMILES for cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cccc(COC2CCOC3(C2)CN(C(=O)C2=CCCC2)C3)n1.

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

The InChIKey is WJDQTTUNDBBGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-5-4-8-17(21-15)12-24-18-9-10-25-20(11-18)13-22(14-20)19(23)16-6-2-3-7-16/h4-6,8,18H,2-3,7,9-14H2,1H3.

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

cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131662587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).