2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C26H26ClIN4O4 — CID 89323770

About 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 89323770) has the molecular formula C26H26ClIN4O4 and a molecular weight of 620.88 g/mol. Its IUPAC name is 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• PubChem CID: 89323770
• Molecular Formula: C26H26ClIN4O4
• Molecular Weight: 620.88 g/mol
• Exact Mass: 620.07
• IUPAC Name: 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• SMILES: CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3CC(c4ccccc4)CC(Cl)(CI)C3=O)cc1C2
• InChI: InChI=1S/C26H26ClIN4O4/c1-31-24(36)30-22(34)26(31)11-17-7-8-20(9-18(17)12-26)29-21(33)14-32-13-19(16-5-3-2-4-6-16)10-25(27,15-28)23(32)35/h2-9,19H,10-15H2,1H3,(H,29,33)(H,30,34,36)
• InChIKey: TVAXLSSDIIVTNO-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.88
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The IUPAC name of 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 89323770) is 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

What is the SMILES notation for 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The canonical SMILES for 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3CC(c4ccccc4)CC(Cl)(CI)C3=O)cc1C2.

What is the InChIKey of 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The InChIKey is TVAXLSSDIIVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClIN4O4/c1-31-24(36)30-22(34)26(31)11-17-7-8-20(9-18(17)12-26)29-21(33)14-32-13-19(16-5-3-2-4-6-16)10-25(27,15-28)23(32)35/h2-9,19H,10-15H2,1H3,(H,29,33)(H,30,34,36).

What are the key properties of 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 620.88 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 89323770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).