2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C23H25FN4O3 — CID 42918889

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 42918889) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
• PubChem CID: 42918889
• Molecular Formula: C23H25FN4O3
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.19
• IUPAC Name: 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
• SMILES: CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O
• InChI: InChI=1S/C23H25FN4O3/c1-23(16-5-7-17(24)8-6-16)21(30)28(22(31)26-23)15-20(29)25-18-9-11-19(12-10-18)27-13-3-2-4-14-27/h5-12H,2-4,13-15H2,1H3,(H,25,29)(H,26,31)
• InChIKey: LESNERPQAOALAV-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?

The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 42918889) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?

The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O.

What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?

The InChIKey is LESNERPQAOALAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-23(16-5-7-17(24)8-6-16)21(30)28(22(31)26-23)15-20(29)25-18-9-11-19(12-10-18)27-13-3-2-4-14-27/h5-12H,2-4,13-15H2,1H3,(H,25,29)(H,26,31).

What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 424.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 42918889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).