5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C28H34FN5O4 — CID 45228691

About 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 45228691) has the molecular formula C28H34FN5O4 and a molecular weight of 523.61 g/mol. Its IUPAC name is 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• PubChem CID: 45228691
• Molecular Formula: C28H34FN5O4
• Molecular Weight: 523.61 g/mol
• Exact Mass: 523.26
• IUPAC Name: 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• SMILES: O=C1NC(=O)C(CC(=O)N2CCCC(COc3cccc(CN4CCN(c5ccccc5F)CC4)c3)C2)N1
• InChI: InChI=1S/C28H34FN5O4/c29-23-8-1-2-9-25(23)33-13-11-32(12-14-33)17-20-5-3-7-22(15-20)38-19-21-6-4-10-34(18-21)26(35)16-24-27(36)31-28(37)30-24/h1-3,5,7-9,15,21,24H,4,6,10-14,16-19H2,(H2,30,31,36,37)
• InChIKey: LVFHHNWSULFUTB-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.61
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 45228691) is 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CC(=O)N2CCCC(COc3cccc(CN4CCN(c5ccccc5F)CC4)c3)C2)N1.

What is the InChIKey of 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The InChIKey is LVFHHNWSULFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O4/c29-23-8-1-2-9-25(23)33-13-11-32(12-14-33)17-20-5-3-7-22(15-20)38-19-21-6-4-10-34(18-21)26(35)16-24-27(36)31-28(37)30-24/h1-3,5,7-9,15,21,24H,4,6,10-14,16-19H2,(H2,30,31,36,37).

What are the key properties of 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 523.61 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45228691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).