[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone

C22H26FN3O2 — CID 124944438

About [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone

[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 124944438) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone
• PubChem CID: 124944438
• Molecular Formula: C22H26FN3O2
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.20
• IUPAC Name: [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone
• SMILES: Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccc(F)cc2)CO3)n1
• InChI: InChI=1S/C22H26FN3O2/c1-16-4-3-5-20(24-16)21(27)26-12-10-22(11-13-26)14-19(15-28-22)25(2)18-8-6-17(23)7-9-18/h3-9,19H,10-15H2,1-2H3/t19-/m1/s1
• InChIKey: BJTJSQOBUBDRCL-LJQANCHMSA-N
• XLogP: 3.43
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone?

The IUPAC name of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone (CID 124944438) is [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone.

What is the SMILES notation for [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone?

The canonical SMILES for [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)c2ccc(F)cc2)CO3)n1.

What is the InChIKey of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone?

The InChIKey is BJTJSQOBUBDRCL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-4-3-5-20(24-16)21(27)26-12-10-22(11-13-26)14-19(15-28-22)25(2)18-8-6-17(23)7-9-18/h3-9,19H,10-15H2,1-2H3/t19-/m1/s1.

What are the key properties of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone?

[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 383.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 124944438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).