[1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane

C130H169Cl4N21O4 — CID 159929166

About [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane

[1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane (PubChem CID 159929166) has the molecular formula C130H169Cl4N21O4 and a molecular weight of 2231.74 g/mol. Its IUPAC name is [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane.

Molecular Properties

• Compound Name: [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane
• PubChem CID: 159929166
• Molecular Formula: C130H169Cl4N21O4
• Molecular Weight: 2231.74 g/mol
• Exact Mass: 2228.24
• IUPAC Name: [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane
• SMILES: C.C.CCCCc1cccc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)c(C)n3C)[C@@H](C)C2)c1.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc4c(c3)C=CC4)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc4c3CC=C4)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)n1CCCN
• InChI: InChI=1S/C33H44ClN5O.2C32H38ClN5O.C31H41ClN6O.2CH4/c1-5-6-10-27-11-9-12-29(21-27)38-19-20-39(25(2)23-38)33(40)32-22-28(26(3)35(32)4)24-36-15-17-37(18-16-36)31-14-8-7-13-30(31)34;1-23-21-37(29-13-7-9-25-8-6-10-27(25)29)18-19-38(23)32(39)31-20-26(24(2)34(31)3)22-35-14-16-36(17-15-35)30-12-5-4-11-28(30)33;1-23-21-37(28-12-11-25-7-6-8-26(25)19-28)17-18-38(23)32(39)31-20-27(24(2)34(31)3)22-35-13-15-36(16-14-35)30-10-5-4-9-29(30)33;1-24-22-36(27-9-4-3-5-10-27)19-20-37(24)31(39)30-21-26(25(2)38(30)14-8-13-33)23-34-15-17-35(18-16-34)29-12-7-6-11-28(29)32;;/h7-9,11-14,21-22,25H,5-6,10,15-20,23-24H2,1-4H3;4-9,11-13,20,23H,10,14-19,21-22H2,1-3H3;4-6,8-12,19-20,23H,7,13-18,21-22H2,1-3H3;3-7,9-12,21,24H,8,13-20,22-23,33H2,1-2H3;2*1H4/t25-;2*23-;24-;;/m0000../s1
• InChIKey: NZKKVBHDDUESSU-KPSKROLESA-N
• XLogP: 22.21
• TPSA: 165.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.74
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane?

The IUPAC name of [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane (CID 159929166) is [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane.

What is the SMILES notation for [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane?

The canonical SMILES for [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane is C.C.CCCCc1cccc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)c(C)n3C)[C@@H](C)C2)c1.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc4c(c3)C=CC4)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc4c3CC=C4)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)n1CCCN.

What is the InChIKey of [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane?

The InChIKey is NZKKVBHDDUESSU-KPSKROLESA-N. The full InChI is InChI=1S/C33H44ClN5O.2C32H38ClN5O.C31H41ClN6O.2CH4/c1-5-6-10-27-11-9-12-29(21-27)38-19-20-39(25(2)23-38)33(40)32-22-28(26(3)35(32)4)24-36-15-17-37(18-16-36)31-14-8-7-13-30(31)34;1-23-21-37(29-13-7-9-25-8-6-10-27(25)29)18-19-38(23)32(39)31-20-26(24(2)34(31)3)22-35-14-16-36(17-15-35)30-12-5-4-11-28(30)33;1-23-21-37(28-12-11-25-7-6-8-26(25)19-28)17-18-38(23)32(39)31-20-27(24(2)34(31)3)22-35-13-15-36(16-14-35)30-10-5-4-9-29(30)33;1-24-22-36(27-9-4-3-5-10-27)19-20-37(24)31(39)30-21-26(25(2)38(30)14-8-13-33)23-34-15-17-35(18-16-34)29-12-7-6-11-28(29)32;;/h7-9,11-14,21-22,25H,5-6,10,15-20,23-24H2,1-4H3;4-9,11-13,20,23H,10,14-19,21-22H2,1-3H3;4-6,8-12,19-20,23H,7,13-18,21-22H2,1-3H3;3-7,9-12,21,24H,8,13-20,22-23,33H2,1-2H3;2*1H4/t25-;2*23-;24-;;/m0000../s1.

What are the key properties of [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane?

[1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane has a molecular weight of 2231.74 g/mol, XLogP of 22.21, 26 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3-aminopropyl)-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone;[(2S)-4-(3-butylphenyl)-2-methylpiperazin-1-yl]-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(1H-inden-5-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3H-inden-4-yl)-2-methylpiperazin-1-yl]methanone;methane is sourced from PubChem (CID 159929166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).