[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone

C21H24F2N2O3 — CID 42461629

About [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone

[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone (PubChem CID 42461629) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone.

Molecular Properties

• Compound Name: [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
• PubChem CID: 42461629
• Molecular Formula: C21H24F2N2O3
• Molecular Weight: 390.43 g/mol
• Exact Mass: 390.18
• IUPAC Name: [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
• SMILES: COc1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)o1
• InChI: InChI=1S/C21H24F2N2O3/c1-27-18-7-6-17(28-18)20(26)25-11-9-21(14-25)8-3-10-24(13-21)12-15-4-2-5-16(22)19(15)23/h2,4-7H,3,8-14H2,1H3/t21-/m1/s1
• InChIKey: CXNUJLDWRFQPIX-OAQYLSRUSA-N
• XLogP: 3.69
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.43
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone?

The IUPAC name of [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone (CID 42461629) is [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone.

What is the SMILES notation for [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone?

The canonical SMILES for [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone is COc1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)o1.

What is the InChIKey of [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone?

The InChIKey is CXNUJLDWRFQPIX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-27-18-7-6-17(28-18)20(26)25-11-9-21(14-25)8-3-10-24(13-21)12-15-4-2-5-16(22)19(15)23/h2,4-7H,3,8-14H2,1H3/t21-/m1/s1.

What are the key properties of [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone?

[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone has a molecular weight of 390.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone is sourced from PubChem (CID 42461629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).