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

C25H26N4O4 — CID 25020151

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

N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide (PubChem CID 25020151) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide
• PubChem CID: 25020151
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide
• SMILES: CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)CN3CCC[C@@H](c4ccccc4)C3=O)cc1C2
• InChI: InChI=1S/C25H26N4O4/c1-28-24(33)27-23(32)25(28)13-17-9-10-19(12-18(17)14-25)26-21(30)15-29-11-5-8-20(22(29)31)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,20H,5,8,11,13-15H2,1H3,(H,26,30)(H,27,32,33)/t20-,25+/m0/s1
• InChIKey: BPKZLINQVYEHRN-NBGIEHNGSA-N
• XLogP: 2.05
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide (CID 25020151) is N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide.

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

The canonical SMILES for N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide is CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)CN3CCC[C@@H](c4ccccc4)C3=O)cc1C2.

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

The InChIKey is BPKZLINQVYEHRN-NBGIEHNGSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-28-24(33)27-23(32)25(28)13-17-9-10-19(12-18(17)14-25)26-21(30)15-29-11-5-8-20(22(29)31)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,20H,5,8,11,13-15H2,1H3,(H,26,30)(H,27,32,33)/t20-,25+/m0/s1.

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

N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 25020151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).