5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide

C₂₈H₃₂N₄O₂ — CID 122183772

About 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide

5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide (PubChem CID 122183772) has the molecular formula C₂₈H₃₂N₄O₂ and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
• PubChem CID: 122183772
• Molecular Formula: C₂₈H₃₂N₄O₂
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.25
• IUPAC Name: 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
• SMILES: COc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc5ccccc45)CC3)cc2c1
• InChI: InChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33)
• InChIKey: CGCDEESEQCYCIB-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?

The IUPAC name of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide (CID 122183772) is 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc5ccccc45)CC3)cc2c1.

What is the InChIKey of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?

The InChIKey is CGCDEESEQCYCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33).

What are the key properties of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?

5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 122183772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122183772 — identifiers, structure, computed properties (public domain)

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