N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide

C₂₃H₃₁N₃O₃ — CID 110288167

About N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110288167) has the molecular formula C₂₃H₃₁N₃O₃ and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
• PubChem CID: 110288167
• Molecular Formula: C₂₃H₃₁N₃O₃
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.24
• IUPAC Name: N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
• SMILES: COCCN1CCN(c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)CC1
• InChI: InChI=1S/C23H31N3O3/c1-28-18-17-25-13-15-26(16-14-25)21-8-6-20(7-9-21)24-23(27)12-5-19-3-10-22(29-2)11-4-19/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27)
• InChIKey: XYXVLNUGDWBFML-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?

The IUPAC name of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide (CID 110288167) is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide.

What is the SMILES notation for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?

The canonical SMILES for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide is COCCN1CCN(c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)CC1.

What is the InChIKey of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?

The InChIKey is XYXVLNUGDWBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-18-17-25-13-15-26(16-14-25)21-8-6-20(7-9-21)24-23(27)12-5-19-3-10-22(29-2)11-4-19/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27).

What are the key properties of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?

N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110288167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110288167 — identifiers, structure, computed properties (public domain)

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