N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide

C29H31F2N3O4 — CID 139457259

About N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide

N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide (PubChem CID 139457259) has the molecular formula C29H31F2N3O4 and a molecular weight of 523.58 g/mol. Its IUPAC name is N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide
• PubChem CID: 139457259
• Molecular Formula: C29H31F2N3O4
• Molecular Weight: 523.58 g/mol
• Exact Mass: 523.23
• IUPAC Name: N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide
• SMILES: O=C1CCC(CC2Cc3cc(CNC(=O)C(F)(F)c4cccc(N5CCCCC5)c4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C29H31F2N3O4/c30-29(31,22-5-4-6-23(16-22)34-11-2-1-3-12-34)28(38)32-17-18-7-9-24-20(13-18)15-21(26(24)36)14-19-8-10-25(35)33-27(19)37/h4-7,9,13,16,19,21H,1-3,8,10-12,14-15,17H2,(H,32,38)(H,33,35,37)
• InChIKey: GCBGMABCNYQYNV-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.58
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide?

The IUPAC name of N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide (CID 139457259) is N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide.

What is the SMILES notation for N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide?

The canonical SMILES for N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide is O=C1CCC(CC2Cc3cc(CNC(=O)C(F)(F)c4cccc(N5CCCCC5)c4)ccc3C2=O)C(=O)N1.

What is the InChIKey of N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide?

The InChIKey is GCBGMABCNYQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N3O4/c30-29(31,22-5-4-6-23(16-22)34-11-2-1-3-12-34)28(38)32-17-18-7-9-24-20(13-18)15-21(26(24)36)14-19-8-10-25(35)33-27(19)37/h4-7,9,13,16,19,21H,1-3,8,10-12,14-15,17H2,(H,32,38)(H,33,35,37).

What are the key properties of N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide?

N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide has a molecular weight of 523.58 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(2,6-dioxopiperidin-3-yl)methyl]-1-oxo-2,3-dihydroinden-5-yl]methyl]-2,2-difluoro-2-(3-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 139457259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).