[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid

C26H32FN3O6 — CID 171151325

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid (PubChem CID 171151325) has the molecular formula C26H32FN3O6 and a molecular weight of 501.56 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid.

Molecular Properties

• Compound Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
• PubChem CID: 171151325
• Molecular Formula: C26H32FN3O6
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.23
• IUPAC Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
• SMILES: COc1cccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1.O=C(O)C(=O)O
• InChI: InChI=1S/C24H30FN3O2.C2H2O4/c1-30-21-6-4-5-19(17-21)18-26-11-9-20(10-12-26)24(29)28-15-13-27(14-16-28)23-8-3-2-7-22(23)25;3-1(4)2(5)6/h2-8,17,20H,9-16,18H2,1H3;(H,3,4)(H,5,6)
• InChIKey: CFYZBVUJQKHHNM-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 110.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?

The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid (CID 171151325) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid.

What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?

The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid is COc1cccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1.O=C(O)C(=O)O.

What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?

The InChIKey is CFYZBVUJQKHHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2.C2H2O4/c1-30-21-6-4-5-19(17-21)18-26-11-9-20(10-12-26)24(29)28-15-13-27(14-16-28)23-8-3-2-7-22(23)25;3-1(4)2(5)6/h2-8,17,20H,9-16,18H2,1H3;(H,3,4)(H,5,6).

What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid?

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid has a molecular weight of 501.56 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid is sourced from PubChem (CID 171151325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).