[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone

C116H140Cl3F5N20O8 — CID 162089413

About [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone

[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 162089413) has the molecular formula C116H140Cl3F5N20O8 and a molecular weight of 2143.88 g/mol. Its IUPAC name is [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone
• PubChem CID: 162089413
• Molecular Formula: C116H140Cl3F5N20O8
• Molecular Weight: 2143.88 g/mol
• Exact Mass: 2141.01
• IUPAC Name: [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone
• SMILES: COCCn1cc(CN2CCN(c3ccccc3C(F)(F)F)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.COCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1.COCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2F)CC1.O=C(c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1CCO)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C30H36F3N5O2.2C29H35ClFN5O2.C28H34ClN5O2/c1-40-20-19-38-23-24(21-28(38)29(39)37-17-15-35(16-18-37)25-7-3-2-4-8-25)22-34-11-13-36(14-12-34)27-10-6-5-9-26(27)30(31,32)33;1-38-19-18-36-22-23(21-32-10-12-33(13-11-32)26-8-4-2-6-24(26)30)20-28(36)29(37)35-16-14-34(15-17-35)27-9-5-3-7-25(27)31;1-38-19-18-36-22-23(21-32-10-12-34(13-11-32)27-5-3-2-4-26(27)30)20-28(36)29(37)35-16-14-33(15-17-35)25-8-6-24(31)7-9-25;29-25-8-4-5-9-26(25)32-12-10-30(11-13-32)21-23-20-27(34(22-23)18-19-35)28(36)33-16-14-31(15-17-33)24-6-2-1-3-7-24/h2-10,21,23H,11-20,22H2,1H3;2*2-9,20,22H,10-19,21H2,1H3;1-9,20,22,35H,10-19,21H2
• InChIKey: ZDKBAFKYIWXDSU-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 187.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.88
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The IUPAC name of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 162089413) is [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

What is the SMILES notation for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The canonical SMILES for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone is COCCn1cc(CN2CCN(c3ccccc3C(F)(F)F)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1.COCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1.COCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2F)CC1.O=C(c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1CCO)N1CCN(c2ccccc2)CC1.

What is the InChIKey of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The InChIKey is ZDKBAFKYIWXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N5O2.2C29H35ClFN5O2.C28H34ClN5O2/c1-40-20-19-38-23-24(21-28(38)29(39)37-17-15-35(16-18-37)25-7-3-2-4-8-25)22-34-11-13-36(14-12-34)27-10-6-5-9-26(27)30(31,32)33;1-38-19-18-36-22-23(21-32-10-12-33(13-11-32)26-8-4-2-6-24(26)30)20-28(36)29(37)35-16-14-34(15-17-35)27-9-5-3-7-25(27)31;1-38-19-18-36-22-23(21-32-10-12-34(13-11-32)27-5-3-2-4-26(27)30)20-28(36)29(37)35-16-14-33(15-17-35)25-8-6-24(31)7-9-25;29-25-8-4-5-9-26(25)32-12-10-30(11-13-32)21-23-20-27(34(22-23)18-19-35)28(36)33-16-14-31(15-17-33)24-6-2-1-3-7-24/h2-10,21,23H,11-20,22H2,1H3;2*2-9,20,22H,10-19,21H2,1H3;1-9,20,22,35H,10-19,21H2.

What are the key properties of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 2143.88 g/mol, XLogP of 16.28, 31 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-hydroxyethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[1-(2-methoxyethyl)-4-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 162089413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).