N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide

C30H36N4O3 — CID 3294250

About N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide

N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide (PubChem CID 3294250) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide.

Molecular Properties

• Compound Name: N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
• PubChem CID: 3294250
• Molecular Formula: C30H36N4O3
• Molecular Weight: 500.64 g/mol
• Exact Mass: 500.28
• IUPAC Name: N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
• SMILES: CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCc2ccccc2)c1
• InChI: InChI=1S/C30H36N4O3/c1-3-4-14-29(35)32-24-15-16-26(25(21-24)30(36)31-22-23-10-6-5-7-11-23)33-17-19-34(20-18-33)27-12-8-9-13-28(27)37-2/h5-13,15-16,21H,3-4,14,17-20,22H2,1-2H3,(H,31,36)(H,32,35)
• InChIKey: PLWQIVRZJCAZDT-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.64
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
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-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?

The IUPAC name of N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide (CID 3294250) is N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide.

What is the SMILES notation for N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?

The canonical SMILES for N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCc2ccccc2)c1.

What is the InChIKey of N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?

The InChIKey is PLWQIVRZJCAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-3-4-14-29(35)32-24-15-16-26(25(21-24)30(36)31-22-23-10-6-5-7-11-23)33-17-19-34(20-18-33)27-12-8-9-13-28(27)37-2/h5-13,15-16,21H,3-4,14,17-20,22H2,1-2H3,(H,31,36)(H,32,35).

What are the key properties of N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?

N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide has a molecular weight of 500.64 g/mol, XLogP of 5.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide is sourced from PubChem (CID 3294250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).