2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

C19H26ClN5O3 — CID 119447377

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119447377) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
• PubChem CID: 119447377
• Molecular Formula: C19H26ClN5O3
• Molecular Weight: 407.90 g/mol
• Exact Mass: 407.17
• IUPAC Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
• SMILES: Cl.O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCCN1CCNCC1
• InChI: InChI=1S/C19H25N5O3.ClH/c25-16(21-9-12-23-10-7-20-8-11-23)13-24-17(26)19(22-18(24)27)6-5-14-3-1-2-4-15(14)19;/h1-4,20H,5-13H2,(H,21,25)(H,22,27);1H
• InChIKey: XKHCMPYWXPHZTJ-UHFFFAOYSA-N
• XLogP: -0.18
• TPSA: 93.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.90
LogP ≤ 5	-0.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?

The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119447377) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?

The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCCN1CCNCC1.

What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?

The InChIKey is XKHCMPYWXPHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.ClH/c25-16(21-9-12-23-10-7-20-8-11-23)13-24-17(26)19(22-18(24)27)6-5-14-3-1-2-4-15(14)19;/h1-4,20H,5-13H2,(H,21,25)(H,22,27);1H.

What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119447377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).