2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide

C29H37ClN4O3 — CID 69190292

About 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 69190292) has the molecular formula C29H37ClN4O3 and a molecular weight of 525.09 g/mol. Its IUPAC name is 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 69190292
• Molecular Formula: C29H37ClN4O3
• Molecular Weight: 525.09 g/mol
• Exact Mass: 524.26
• IUPAC Name: 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
• SMILES: CC(=O)n1cc(-c2ccc(Cl)cc2)c2ccc(OCCCCCN3CCN(CC(=O)N(C)C)CC3)cc21
• InChI: InChI=1S/C29H37ClN4O3/c1-22(35)34-20-27(23-7-9-24(30)10-8-23)26-12-11-25(19-28(26)34)37-18-6-4-5-13-32-14-16-33(17-15-32)21-29(36)31(2)3/h7-12,19-20H,4-6,13-18,21H2,1-3H3
• InChIKey: FQQFHZLRHBQUJB-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 58.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.09
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 69190292) is 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide is CC(=O)n1cc(-c2ccc(Cl)cc2)c2ccc(OCCCCCN3CCN(CC(=O)N(C)C)CC3)cc21.

What is the InChIKey of 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?

The InChIKey is FQQFHZLRHBQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN4O3/c1-22(35)34-20-27(23-7-9-24(30)10-8-23)26-12-11-25(19-28(26)34)37-18-6-4-5-13-32-14-16-33(17-15-32)21-29(36)31(2)3/h7-12,19-20H,4-6,13-18,21H2,1-3H3.

What are the key properties of 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?

2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 525.09 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 69190292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).