2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide

C23H27FN4O2 — CID 42198652

About 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide

2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide (PubChem CID 42198652) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide
• PubChem CID: 42198652
• Molecular Formula: C23H27FN4O2
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.21
• IUPAC Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide
• SMILES: CN1CCc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3F)ccc21
• InChI: InChI=1S/C23H27FN4O2/c1-27-10-8-17-12-16(6-7-20(17)27)14-26-22(29)13-21-23(30)25-9-11-28(21)15-18-4-2-3-5-19(18)24/h2-7,12,21H,8-11,13-15H2,1H3,(H,25,30)(H,26,29)/t21-/m1/s1
• InChIKey: SPNUXLHGFHGVQG-OAQYLSRUSA-N
• XLogP: 1.82
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide?

The IUPAC name of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide (CID 42198652) is 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide.

What is the SMILES notation for 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide?

The canonical SMILES for 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide is CN1CCc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3F)ccc21.

What is the InChIKey of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide?

The InChIKey is SPNUXLHGFHGVQG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-27-10-8-17-12-16(6-7-20(17)27)14-26-22(29)13-21-23(30)25-9-11-28(21)15-18-4-2-3-5-19(18)24/h2-7,12,21H,8-11,13-15H2,1H3,(H,25,30)(H,26,29)/t21-/m1/s1.

What are the key properties of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide?

2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide has a molecular weight of 410.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide is sourced from PubChem (CID 42198652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).