5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

C31H36N4O3 — CID 3875300

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

5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 3875300) has the molecular formula C31H36N4O3 and a molecular weight of 512.65 g/mol. Its IUPAC name is 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• PubChem CID: 3875300
• Molecular Formula: C31H36N4O3
• Molecular Weight: 512.65 g/mol
• Exact Mass: 512.28
• IUPAC Name: 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)NC2CCCCC2)CC1
• InChI: InChI=1S/C31H36N4O3/c1-38-29-15-9-8-14-28(29)35-20-18-34(19-21-35)27-17-16-25(33-30(36)23-10-4-2-5-11-23)22-26(27)31(37)32-24-12-6-3-7-13-24/h2,4-5,8-11,14-17,22,24H,3,6-7,12-13,18-21H2,1H3,(H,32,37)(H,33,36)
• InChIKey: DHQDVODHBMMDJS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.65
LogP ≤ 5	5.34
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 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The IUPAC name of 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 3875300) is 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

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

The canonical SMILES for 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)NC2CCCCC2)CC1.

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

The InChIKey is DHQDVODHBMMDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3/c1-38-29-15-9-8-14-28(29)35-20-18-34(19-21-35)27-17-16-25(33-30(36)23-10-4-2-5-11-23)22-26(27)31(37)32-24-12-6-3-7-13-24/h2,4-5,8-11,14-17,22,24H,3,6-7,12-13,18-21H2,1H3,(H,32,37)(H,33,36).

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

5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 512.65 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 3875300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).