4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride

C27H33Cl3N4O — CID 68572410

About 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride

4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride (PubChem CID 68572410) has the molecular formula C27H33Cl3N4O and a molecular weight of 535.95 g/mol. Its IUPAC name is 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride
• PubChem CID: 68572410
• Molecular Formula: C27H33Cl3N4O
• Molecular Weight: 535.95 g/mol
• Exact Mass: 534.17
• IUPAC Name: 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride
• SMILES: CNC(=O)c1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(-c2ccccc2)n(C)c1C.Cl
• InChI: InChI=1S/C27H32Cl2N4O.ClH/c1-19-24(27(34)30-2)21(26(31(19)3)20-9-5-4-6-10-20)11-8-14-32-15-17-33(18-16-32)23-13-7-12-22(28)25(23)29;/h4-7,9-10,12-13H,8,11,14-18H2,1-3H3,(H,30,34);1H
• InChIKey: DUCAFKJFTPQBNM-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.95
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride?

The IUPAC name of 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride (CID 68572410) is 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride.

What is the SMILES notation for 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride?

The canonical SMILES for 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride is CNC(=O)c1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(-c2ccccc2)n(C)c1C.Cl.

What is the InChIKey of 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride?

The InChIKey is DUCAFKJFTPQBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O.ClH/c1-19-24(27(34)30-2)21(26(31(19)3)20-9-5-4-6-10-20)11-8-14-32-15-17-33(18-16-32)23-13-7-12-22(28)25(23)29;/h4-7,9-10,12-13H,8,11,14-18H2,1-3H3,(H,30,34);1H.

What are the key properties of 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride?

4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 535.95 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N,1,2-trimethyl-5-phenylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 68572410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).