7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C22H25FN2O4 — CID 45243464

About 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45243464) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45243464
• Molecular Formula: C22H25FN2O4
• Molecular Weight: 400.45 g/mol
• Exact Mass: 400.18
• IUPAC Name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1ccc(F)c(CN2CCCC3(CCN(C(=O)c4ccoc4C)C3)C2=O)c1
• InChI: InChI=1S/C22H25FN2O4/c1-15-18(6-11-29-15)20(26)25-10-8-22(14-25)7-3-9-24(21(22)27)13-16-12-17(28-2)4-5-19(16)23/h4-6,11-12H,3,7-10,13-14H2,1-2H3
• InChIKey: GXKSGRUQNPUEBI-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.45
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45243464) is 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCCC3(CCN(C(=O)c4ccoc4C)C3)C2=O)c1.

What is the InChIKey of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is GXKSGRUQNPUEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-15-18(6-11-29-15)20(26)25-10-8-22(14-25)7-3-9-24(21(22)27)13-16-12-17(28-2)4-5-19(16)23/h4-6,11-12H,3,7-10,13-14H2,1-2H3.

What are the key properties of 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 400.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45243464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).