N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide

C30H38FN3O5 — CID 166797635

About N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide (PubChem CID 166797635) has the molecular formula C30H38FN3O5 and a molecular weight of 539.65 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide
• PubChem CID: 166797635
• Molecular Formula: C30H38FN3O5
• Molecular Weight: 539.65 g/mol
• Exact Mass: 539.28
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide
• SMILES: Cc1cccc(OCc2cccc(CN3CC(C)(C)OC(C)(C)C3)c2F)c1CN(C=O)C1CCC(=O)NC1=O
• InChI: InChI=1S/C30H38FN3O5/c1-20-8-6-11-25(23(20)15-34(19-35)24-12-13-26(36)32-28(24)37)38-16-22-10-7-9-21(27(22)31)14-33-17-29(2,3)39-30(4,5)18-33/h6-11,19,24H,12-18H2,1-5H3,(H,32,36,37)
• InChIKey: YSNNLJRTJLROHD-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.65
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide (CID 166797635) is N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide is Cc1cccc(OCc2cccc(CN3CC(C)(C)OC(C)(C)C3)c2F)c1CN(C=O)C1CCC(=O)NC1=O.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide?

The InChIKey is YSNNLJRTJLROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O5/c1-20-8-6-11-25(23(20)15-34(19-35)24-12-13-26(36)32-28(24)37)38-16-22-10-7-9-21(27(22)31)14-33-17-29(2,3)39-30(4,5)18-33/h6-11,19,24H,12-18H2,1-5H3,(H,32,36,37).

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide?

N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide has a molecular weight of 539.65 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide is sourced from PubChem (CID 166797635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).