2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride

C24H29Cl2N3O4 — CID 11677634

About 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride (PubChem CID 11677634) has the molecular formula C24H29Cl2N3O4 and a molecular weight of 494.42 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
• PubChem CID: 11677634
• Molecular Formula: C24H29Cl2N3O4
• Molecular Weight: 494.42 g/mol
• Exact Mass: 493.15
• IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
• SMILES: COc1cc2c(cc1OC)C(NC(=O)CN1CCN(Cc3cccc(Cl)c3)CC1)CC2=O.Cl
• InChI: InChI=1S/C24H28ClN3O4.ClH/c1-31-22-11-18-19(12-23(22)32-2)21(29)13-20(18)26-24(30)15-28-8-6-27(7-9-28)14-16-4-3-5-17(25)10-16;/h3-5,10-12,20H,6-9,13-15H2,1-2H3,(H,26,30);1H
• InChIKey: LJCYWLJAICFEDM-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.42
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?

The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride (CID 11677634) is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride.

What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?

The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride is COc1cc2c(cc1OC)C(NC(=O)CN1CCN(Cc3cccc(Cl)c3)CC1)CC2=O.Cl.

What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?

The InChIKey is LJCYWLJAICFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4.ClH/c1-31-22-11-18-19(12-23(22)32-2)21(29)13-20(18)26-24(30)15-28-8-6-27(7-9-28)14-16-4-3-5-17(25)10-16;/h3-5,10-12,20H,6-9,13-15H2,1-2H3,(H,26,30);1H.

What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride has a molecular weight of 494.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 11677634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).