1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C20H24F2N4O2 — CID 45198042

About 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 45198042) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• PubChem CID: 45198042
• Molecular Formula: C20H24F2N4O2
• Molecular Weight: 390.43 g/mol
• Exact Mass: 390.19
• IUPAC Name: 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• SMILES: Cc1nonc1CC(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
• InChI: InChI=1S/C20H24F2N4O2/c1-14-18(24-28-23-14)10-19(27)26-8-6-20(13-26)5-2-7-25(12-20)11-15-3-4-16(21)17(22)9-15/h3-4,9H,2,5-8,10-13H2,1H3
• InChIKey: AJPLRPQOXRCQBJ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.43
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The IUPAC name of 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 45198042) is 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

What is the SMILES notation for 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The canonical SMILES for 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.

What is the InChIKey of 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The InChIKey is AJPLRPQOXRCQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-14-18(24-28-23-14)10-19(27)26-8-6-20(13-26)5-2-7-25(12-20)11-15-3-4-16(21)17(22)9-15/h3-4,9H,2,5-8,10-13H2,1H3.

What are the key properties of 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 390.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 45198042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).