5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole

C₂₅H₃₀N₆O — CID 122180610

About 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole

5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole (PubChem CID 122180610) has the molecular formula C₂₅H₃₀N₆O and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole.

Molecular Properties

• Compound Name: 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole
• PubChem CID: 122180610
• Molecular Formula: C₂₅H₃₀N₆O
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.25
• IUPAC Name: 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole
• SMILES: COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1
• InChI: InChI=1S/C25H30N6O/c1-32-25-7-3-2-6-24(25)30-16-14-29(15-17-30)12-4-5-13-31-19-23(27-28-31)20-8-9-22-21(18-20)10-11-26-22/h2-3,6-11,18-19,26H,4-5,12-17H2,1H3
• InChIKey: YZNCNHWANPBHMC-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 62.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
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 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?

The IUPAC name of 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole (CID 122180610) is 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole.

What is the SMILES notation for 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?

The canonical SMILES for 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole is COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1.

What is the InChIKey of 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?

The InChIKey is YZNCNHWANPBHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-32-25-7-3-2-6-24(25)30-16-14-29(15-17-30)12-4-5-13-31-19-23(27-28-31)20-8-9-22-21(18-20)10-11-26-22/h2-3,6-11,18-19,26H,4-5,12-17H2,1H3.

What are the key properties of 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?

5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole has a molecular weight of 430.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole is sourced from PubChem (CID 122180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122180610 — identifiers, structure, computed properties (public domain)

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