(3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C19H25FN2O3 — CID 131692818

About (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131692818) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131692818
• Molecular Formula: C19H25FN2O3
• Molecular Weight: 348.42 g/mol
• Exact Mass: 348.18
• IUPAC Name: (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1cncc(COC2CCOC3(C2)CN(C(=O)C2CC(F)C2)C3)c1
• InChI: InChI=1S/C19H25FN2O3/c1-13-4-14(9-21-8-13)10-24-17-2-3-25-19(7-17)11-22(12-19)18(23)15-5-16(20)6-15/h4,8-9,15-17H,2-3,5-7,10-12H2,1H3
• InChIKey: LITJVOLODAZXNE-UHFFFAOYSA-N
• XLogP: 2.41
• 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	348.42
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131692818) is (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

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

The canonical SMILES for (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cncc(COC2CCOC3(C2)CN(C(=O)C2CC(F)C2)C3)c1.

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

The InChIKey is LITJVOLODAZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13-4-14(9-21-8-13)10-24-17-2-3-25-19(7-17)11-22(12-19)18(23)15-5-16(20)6-15/h4,8-9,15-17H,2-3,5-7,10-12H2,1H3.

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

(3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 348.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluorocyclobutyl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131692818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).