N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

C₂₆H₃₁N₃O — CID 127026123

About N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (PubChem CID 127026123) has the molecular formula C₂₆H₃₁N₃O and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
• PubChem CID: 127026123
• Molecular Formula: C₂₆H₃₁N₃O
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.25
• IUPAC Name: N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
• SMILES: Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
• InChI: InChI=1S/C26H31N3O/c1-21-8-2-5-11-25(21)29-18-16-28(17-19-29)15-7-6-14-27-26(30)24-13-12-22-9-3-4-10-23(22)20-24/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
• InChIKey: UCZBYQLMYSGJSK-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?

The IUPAC name of N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (CID 127026123) is N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.

What is the InChIKey of N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?

The InChIKey is UCZBYQLMYSGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-21-8-2-5-11-25(21)29-18-16-28(17-19-29)15-7-6-14-27-26(30)24-13-12-22-9-3-4-10-23(22)20-24/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30).

What are the key properties of N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?

N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 127026123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 127026123 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.