methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate

C20H26F2N2O3 — CID 72875092

About methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate

methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate (PubChem CID 72875092) has the molecular formula C20H26F2N2O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate.

Molecular Properties

• Compound Name: methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate
• PubChem CID: 72875092
• Molecular Formula: C20H26F2N2O3
• Molecular Weight: 380.44 g/mol
• Exact Mass: 380.19
• IUPAC Name: methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate
• SMILES: CCC(C(=O)OC)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
• InChI: InChI=1S/C20H26F2N2O3/c1-3-17(19(26)27-2)23-6-4-20(5-7-23)11-18(25)24(13-20)12-14-8-15(21)10-16(22)9-14/h8-10,17H,3-7,11-13H2,1-2H3
• InChIKey: XZVKASUFGZYQLA-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.44
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate?

The IUPAC name of methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate (CID 72875092) is methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate.

What is the SMILES notation for methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate?

The canonical SMILES for methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate is CCC(C(=O)OC)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.

What is the InChIKey of methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate?

The InChIKey is XZVKASUFGZYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O3/c1-3-17(19(26)27-2)23-6-4-20(5-7-23)11-18(25)24(13-20)12-14-8-15(21)10-16(22)9-14/h8-10,17H,3-7,11-13H2,1-2H3.

What are the key properties of methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate?

methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate has a molecular weight of 380.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate is sourced from PubChem (CID 72875092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).