2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide

C30H34ClN3O2 — CID 14030372

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 14030372) has the molecular formula C30H34ClN3O2 and a molecular weight of 504.07 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide
• PubChem CID: 14030372
• Molecular Formula: C30H34ClN3O2
• Molecular Weight: 504.07 g/mol
• Exact Mass: 503.23
• IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide
• SMILES: Cc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
• InChI: InChI=1S/C30H34ClN3O2/c1-19-7-4-5-10-24(19)26-17-25-20(2)15-21(3)30(36)28(25)29(26)32-27(35)18-33-11-13-34(14-12-33)23-9-6-8-22(31)16-23/h4-10,15-16,26,29,36H,11-14,17-18H2,1-3H3,(H,32,35)
• InChIKey: SXZLYNGXPBMUFE-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 55.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.07
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 14030372) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide.

What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide is Cc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1.

What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

The InChIKey is SXZLYNGXPBMUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O2/c1-19-7-4-5-10-24(19)26-17-25-20(2)15-21(3)30(36)28(25)29(26)32-27(35)18-33-11-13-34(14-12-33)23-9-6-8-22(31)16-23/h4-10,15-16,26,29,36H,11-14,17-18H2,1-3H3,(H,32,35).

What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 504.07 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 14030372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).