1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

C23H25FN4O3 — CID 56522164

About 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 56522164) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 56522164
• Molecular Formula: C23H25FN4O3
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.19
• IUPAC Name: 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
• SMILES: Cc1ccc(N2CC(C(=O)N3CCN(C(=O)Cc4ccccn4)CC3)CC2=O)c(F)c1
• InChI: InChI=1S/C23H25FN4O3/c1-16-5-6-20(19(24)12-16)28-15-17(13-22(28)30)23(31)27-10-8-26(9-11-27)21(29)14-18-4-2-3-7-25-18/h2-7,12,17H,8-11,13-15H2,1H3
• InChIKey: KPKDZKBFIUGBCE-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 73.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 56522164) is 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCN(C(=O)Cc4ccccn4)CC3)CC2=O)c(F)c1.

What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is KPKDZKBFIUGBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-16-5-6-20(19(24)12-16)28-15-17(13-22(28)30)23(31)27-10-8-26(9-11-27)21(29)14-18-4-2-3-7-25-18/h2-7,12,17H,8-11,13-15H2,1H3.

What are the key properties of 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?

1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 424.48 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 56522164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).