5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide

C32H39N5O4 — CID 42752910

About 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide

5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 42752910) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

• Compound Name: 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
• PubChem CID: 42752910
• Molecular Formula: C32H39N5O4
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.30
• IUPAC Name: 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)NCCCN2CCOCC2)CC1
• InChI: InChI=1S/C32H39N5O4/c1-40-30-11-6-5-10-29(30)37-18-16-36(17-19-37)28-13-12-26(34-31(38)25-8-3-2-4-9-25)24-27(28)32(39)33-14-7-15-35-20-22-41-23-21-35/h2-6,8-13,24H,7,14-23H2,1H3,(H,33,39)(H,34,38)
• InChIKey: ZWQCNJHXCLTFGW-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?

The IUPAC name of 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 42752910) is 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

What is the SMILES notation for 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?

The canonical SMILES for 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)NCCCN2CCOCC2)CC1.

What is the InChIKey of 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?

The InChIKey is ZWQCNJHXCLTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4/c1-40-30-11-6-5-10-29(30)37-18-16-36(17-19-37)28-13-12-26(34-31(38)25-8-3-2-4-9-25)24-27(28)32(39)33-14-7-15-35-20-22-41-23-21-35/h2-6,8-13,24H,7,14-23H2,1H3,(H,33,39)(H,34,38).

What are the key properties of 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?

5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 557.70 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 42752910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).