2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C16H24F3N5O3 — CID 120813431

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120813431) has the molecular formula C16H24F3N5O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
• PubChem CID: 120813431
• Molecular Formula: C16H24F3N5O3
• Molecular Weight: 391.39 g/mol
• Exact Mass: 391.18
• IUPAC Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
• SMILES: CC1(C2CC2)NC(=O)N(CC(=O)NCC(N2CCNCC2)C(F)(F)F)C1=O
• InChI: InChI=1S/C16H24F3N5O3/c1-15(10-2-3-10)13(26)24(14(27)22-15)9-12(25)21-8-11(16(17,18)19)23-6-4-20-5-7-23/h10-11,20H,2-9H2,1H3,(H,21,25)(H,22,27)
• InChIKey: QWWARYJQGFVYCT-UHFFFAOYSA-N
• XLogP: -0.34
• TPSA: 93.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.39
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?

The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120813431) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?

The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is CC1(C2CC2)NC(=O)N(CC(=O)NCC(N2CCNCC2)C(F)(F)F)C1=O.

What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?

The InChIKey is QWWARYJQGFVYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O3/c1-15(10-2-3-10)13(26)24(14(27)22-15)9-12(25)21-8-11(16(17,18)19)23-6-4-20-5-7-23/h10-11,20H,2-9H2,1H3,(H,21,25)(H,22,27).

What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 391.39 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).