5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride

C30H40Cl2N4O — CID 45279756

About 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride

5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride (PubChem CID 45279756) has the molecular formula C30H40Cl2N4O and a molecular weight of 543.58 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride
• PubChem CID: 45279756
• Molecular Formula: C30H40Cl2N4O
• Molecular Weight: 543.58 g/mol
• Exact Mass: 542.26
• IUPAC Name: 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride
• SMILES: CCCn1c(-c2ccc(Cl)cc2)cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c1C.Cl
• InChI: InChI=1S/C30H39ClN4O.ClH/c1-5-15-35-24(4)27(21-29(35)25-10-12-26(31)13-11-25)30(36)32-14-7-16-33-17-19-34(20-18-33)28-9-6-8-22(2)23(28)3;/h6,8-13,21H,5,7,14-20H2,1-4H3,(H,32,36);1H
• InChIKey: LMNFUDPLNOKROB-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride?

The IUPAC name of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride (CID 45279756) is 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride?

The canonical SMILES for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride is CCCn1c(-c2ccc(Cl)cc2)cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c1C.Cl.

What is the InChIKey of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride?

The InChIKey is LMNFUDPLNOKROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN4O.ClH/c1-5-15-35-24(4)27(21-29(35)25-10-12-26(31)13-11-25)30(36)32-14-7-16-33-17-19-34(20-18-33)28-9-6-8-22(2)23(28)3;/h6,8-13,21H,5,7,14-20H2,1-4H3,(H,32,36);1H.

What are the key properties of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride?

5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 543.58 g/mol, XLogP of 6.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1-propylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 45279756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).