2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide

C25H25BrFN3O4 — CID 118956946

About 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide

2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide (PubChem CID 118956946) has the molecular formula C25H25BrFN3O4 and a molecular weight of 530.39 g/mol. Its IUPAC name is 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide
• PubChem CID: 118956946
• Molecular Formula: C25H25BrFN3O4
• Molecular Weight: 530.39 g/mol
• Exact Mass: 529.10
• IUPAC Name: 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide
• SMILES: O=C1OC2(CCc3cc(Br)ccc32)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCNCC1
• InChI: InChI=1S/C25H25BrFN3O4/c26-18-3-6-21-17(13-18)7-10-25(21)23(32)30(24(33)34-25)15-22(31)29(20-8-11-28-12-9-20)14-16-1-4-19(27)5-2-16/h1-6,13,20,28H,7-12,14-15H2
• InChIKey: KBEMFAYPUHAUPK-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.39
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide?

The IUPAC name of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide (CID 118956946) is 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide.

What is the SMILES notation for 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide?

The canonical SMILES for 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide is O=C1OC2(CCc3cc(Br)ccc32)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCNCC1.

What is the InChIKey of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide?

The InChIKey is KBEMFAYPUHAUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrFN3O4/c26-18-3-6-21-17(13-18)7-10-25(21)23(32)30(24(33)34-25)15-22(31)29(20-8-11-28-12-9-20)14-16-1-4-19(27)5-2-16/h1-6,13,20,28H,7-12,14-15H2.

What are the key properties of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide?

2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide has a molecular weight of 530.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 118956946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).