(2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide

C35H40FN3O3 — CID 71248121

About (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide

(2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide (PubChem CID 71248121) has the molecular formula C35H40FN3O3 and a molecular weight of 569.72 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide
• PubChem CID: 71248121
• Molecular Formula: C35H40FN3O3
• Molecular Weight: 569.72 g/mol
• Exact Mass: 569.31
• IUPAC Name: (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide
• SMILES: CC(C)C[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1
• InChI: InChI=1S/C35H40FN3O3/c1-21(2)18-29-32(40)37-30(27-19-25-8-6-7-9-26(25)20-27)34(42)39(29)31(33(41)38-35(3,4)5)24-12-10-22(11-13-24)23-14-16-28(36)17-15-23/h6-17,21,27,29-31H,18-20H2,1-5H3,(H,37,40)(H,38,41)/t29-,30?,31-/m1/s1
• InChIKey: SNKOELQLVDRGGN-SAMCCIRTSA-N
• XLogP: 5.61
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.72
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide?

The IUPAC name of (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide (CID 71248121) is (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide is CC(C)C[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1.

What is the InChIKey of (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide?

The InChIKey is SNKOELQLVDRGGN-SAMCCIRTSA-N. The full InChI is InChI=1S/C35H40FN3O3/c1-21(2)18-29-32(40)37-30(27-19-25-8-6-7-9-26(25)20-27)34(42)39(29)31(33(41)38-35(3,4)5)24-12-10-22(11-13-24)23-14-16-28(36)17-15-23/h6-17,21,27,29-31H,18-20H2,1-5H3,(H,37,40)(H,38,41)/t29-,30?,31-/m1/s1.

What are the key properties of (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide?

(2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide has a molecular weight of 569.72 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-fluorophenyl)phenyl]acetamide is sourced from PubChem (CID 71248121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).