[1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone

C115H142Cl4N20O5 — CID 158687902

About [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone

[1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 158687902) has the molecular formula C115H142Cl4N20O5 and a molecular weight of 2026.35 g/mol. Its IUPAC name is [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone
• PubChem CID: 158687902
• Molecular Formula: C115H142Cl4N20O5
• Molecular Weight: 2026.35 g/mol
• Exact Mass: 2023.02
• IUPAC Name: [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone
• SMILES: CCCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.CCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.COCCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C30H38ClN5O2.C30H38ClN5O.C28H34ClN5O.C27H32ClN5O/c1-38-21-7-12-36-24-25(23-32-13-15-34(16-14-32)28-11-6-5-10-27(28)31)22-29(36)30(37)35-19-17-33(18-20-35)26-8-3-2-4-9-26;1-2-3-13-36-24-25(23-32-14-16-34(17-15-32)28-12-8-7-11-27(28)31)22-29(36)30(37)35-20-18-33(19-21-35)26-9-5-4-6-10-26;1-2-31-22-23(21-30-12-14-33(15-13-30)26-11-7-6-10-25(26)29)20-27(31)28(35)34-18-16-32(17-19-34)24-8-4-3-5-9-24;1-29-20-22(21-30-11-13-32(14-12-30)25-10-6-5-9-24(25)28)19-26(29)27(34)33-17-15-31(16-18-33)23-7-3-2-4-8-23/h2-6,8-11,22,24H,7,12-21,23H2,1H3;4-12,22,24H,2-3,13-21,23H2,1H3;3-11,20,22H,2,12-19,21H2,1H3;2-10,19-20H,11-18,21H2,1H3
• InChIKey: IFYWQUIZHMOTAU-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 149.07 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.35
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The IUPAC name of [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 158687902) is [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

What is the SMILES notation for [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The canonical SMILES for [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone is CCCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.CCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.COCCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.

What is the InChIKey of [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The InChIKey is IFYWQUIZHMOTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN5O2.C30H38ClN5O.C28H34ClN5O.C27H32ClN5O/c1-38-21-7-12-36-24-25(23-32-13-15-34(16-14-32)28-11-6-5-10-27(28)31)22-29(36)30(37)35-19-17-33(18-20-35)26-8-3-2-4-9-26;1-2-3-13-36-24-25(23-32-14-16-34(17-15-32)28-12-8-7-11-27(28)31)22-29(36)30(37)35-20-18-33(19-21-35)26-9-5-4-6-10-26;1-2-31-22-23(21-30-12-14-33(15-13-30)26-11-7-6-10-25(26)29)20-27(31)28(35)34-18-16-32(17-19-34)24-8-4-3-5-9-24;1-29-20-22(21-30-11-13-32(14-12-30)25-10-6-5-9-24(25)28)19-26(29)27(34)33-17-15-31(16-18-33)23-7-3-2-4-8-23/h2-6,8-11,22,24H,7,12-21,23H2,1H3;4-12,22,24H,2-3,13-21,23H2,1H3;3-11,20,22H,2,12-19,21H2,1H3;2-10,19-20H,11-18,21H2,1H3.

What are the key properties of [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

[1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 2026.35 g/mol, XLogP of 18.10, 28 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [1-butyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-ethylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(3-methoxypropyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 158687902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).