2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide

C24H26F3N3O4 — CID 142667737

About 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide

2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide (PubChem CID 142667737) has the molecular formula C24H26F3N3O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide
• PubChem CID: 142667737
• Molecular Formula: C24H26F3N3O4
• Molecular Weight: 477.48 g/mol
• Exact Mass: 477.19
• IUPAC Name: 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide
• SMILES: CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1C(C(N)=O)c1ccc(C(F)(F)F)o1
• InChI: InChI=1S/C24H26F3N3O4/c1-12(2)9-16-22(32)29-19(15-10-13-5-3-4-6-14(13)11-15)23(33)30(16)20(21(28)31)17-7-8-18(34-17)24(25,26)27/h3-8,12,15-16,19-20H,9-11H2,1-2H3,(H2,28,31)(H,29,32)/t16-,19-,20?/m1/s1
• InChIKey: YQWLAJLHBKNMAQ-YPMWCJOZSA-N
• XLogP: 2.98
• TPSA: 105.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.48
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide?

The IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide (CID 142667737) is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide.

What is the SMILES notation for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide?

The canonical SMILES for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1C(C(N)=O)c1ccc(C(F)(F)F)o1.

What is the InChIKey of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide?

The InChIKey is YQWLAJLHBKNMAQ-YPMWCJOZSA-N. The full InChI is InChI=1S/C24H26F3N3O4/c1-12(2)9-16-22(32)29-19(15-10-13-5-3-4-6-14(13)11-15)23(33)30(16)20(21(28)31)17-7-8-18(34-17)24(25,26)27/h3-8,12,15-16,19-20H,9-11H2,1-2H3,(H2,28,31)(H,29,32)/t16-,19-,20?/m1/s1.

What are the key properties of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide?

2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide has a molecular weight of 477.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[5-(trifluoromethyl)furan-2-yl]acetamide is sourced from PubChem (CID 142667737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).