4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid

C25H37F3N4O5 — CID 146065491

About 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid

4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 146065491) has the molecular formula C25H37F3N4O5 and a molecular weight of 530.59 g/mol. Its IUPAC name is 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 146065491
• Molecular Formula: C25H37F3N4O5
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.27
• IUPAC Name: 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
• SMILES: CCOc1ccc(C(=O)N(CCCN2CCCCC2)CC(=O)N2CCNCC2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H36N4O3.C2HF3O2/c1-2-30-21-9-7-20(8-10-21)23(29)27(16-6-15-25-13-4-3-5-14-25)19-22(28)26-17-11-24-12-18-26;3-2(4,5)1(6)7/h7-10,24H,2-6,11-19H2,1H3;(H,6,7)
• InChIKey: WQOYBBDUIGKWJN-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 102.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid (CID 146065491) is 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid is CCOc1ccc(C(=O)N(CCCN2CCCCC2)CC(=O)N2CCNCC2)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?

The InChIKey is WQOYBBDUIGKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3.C2HF3O2/c1-2-30-21-9-7-20(8-10-21)23(29)27(16-6-15-25-13-4-3-5-14-25)19-22(28)26-17-11-24-12-18-26;3-2(4,5)1(6)7/h7-10,24H,2-6,11-19H2,1H3;(H,6,7).

What are the key properties of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?

4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 530.59 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146065491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).