1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

C24H35ClN6O — CID 90561290

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 90561290) has the molecular formula C24H35ClN6O and a molecular weight of 459.04 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
• PubChem CID: 90561290
• Molecular Formula: C24H35ClN6O
• Molecular Weight: 459.04 g/mol
• Exact Mass: 458.26
• IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
• SMILES: CC(C)c1nccn1CCN1CCN(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1
• InChI: InChI=1S/C24H35ClN6O/c1-20(2)24-26-7-8-31(24)14-13-27-9-11-28(12-10-27)19-23(32)30-17-15-29(16-18-30)22-5-3-21(25)4-6-22/h3-8,20H,9-19H2,1-2H3
• InChIKey: QRUWINOVRBLILF-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 47.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.04
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (CID 90561290) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is CC(C)c1nccn1CCN1CCN(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1.

What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?

The InChIKey is QRUWINOVRBLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN6O/c1-20(2)24-26-7-8-31(24)14-13-27-9-11-28(12-10-27)19-23(32)30-17-15-29(16-18-30)22-5-3-21(25)4-6-22/h3-8,20H,9-19H2,1-2H3.

What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 459.04 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90561290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).