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

C29H34F3N3O3 — CID 71248071

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

(2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 71248071) has the molecular formula C29H34F3N3O3 and a molecular weight of 529.60 g/mol. Its IUPAC name is (2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 71248071
• Molecular Formula: C29H34F3N3O3
• Molecular Weight: 529.60 g/mol
• Exact Mass: 529.26
• IUPAC Name: (2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
• SMILES: CC(C)C[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(21-14-19-7-5-6-8-20(19)15-21)28(38)35(23)25(27(37)33-17(3)4)18-9-11-22(12-10-18)29(30,31)32/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24?,25-/m1/s1
• InChIKey: SMGGYLWFKYYAHG-VSPQQOHGSA-N
• XLogP: 4.43
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.60
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 71248071) is (2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide.

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

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

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

The InChIKey is SMGGYLWFKYYAHG-VSPQQOHGSA-N. The full InChI is InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(21-14-19-7-5-6-8-20(19)15-21)28(38)35(23)25(27(37)33-17(3)4)18-9-11-22(12-10-18)29(30,31)32/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24?,25-/m1/s1.

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

(2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 529.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 71248071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).