6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride

C155H198ClFN24O6 — CID 158030644

About 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride

6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride (PubChem CID 158030644) has the molecular formula C155H198ClFN24O6 and a molecular weight of 2547.90 g/mol. Its IUPAC name is 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride.

Molecular Properties

• Compound Name: 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride
• PubChem CID: 158030644
• Molecular Formula: C155H198ClFN24O6
• Molecular Weight: 2547.90 g/mol
• Exact Mass: 2545.56
• IUPAC Name: 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride
• SMILES: CCCCC1CCCCN1CCCCC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(C)cc1)C2.CCCc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1.CCCc1cc(CNCCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1.Cc1cccc(N2CCN(CC(=O)NCc3cc(C)n(-c4ccccc4)n3)CC2)c1C.F.O=C(CCCNCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(CCn1cnc(-c2ccccc2)c1)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C30H40N2O2.C28H38ClN3O.2C25H31N5O.C25H33N5.C22H24N4O.FH/c1-3-4-9-27-10-5-7-18-31(27)19-8-6-11-29(33)25-16-17-26-22-32(30(34)28(26)20-25)21-24-14-12-23(2)13-15-24;29-26-15-13-25(14-16-26)28(24-10-5-2-6-11-24)32-20-18-31(19-21-32)27(33)12-7-17-30-22-23-8-3-1-4-9-23;1-19-8-7-11-24(21(19)3)29-14-12-28(13-15-29)18-25(31)26-17-22-16-20(2)30(27-22)23-9-5-4-6-10-23;1-2-9-23-20-24(27-30(23)22-12-7-4-8-13-22)25(31)26-14-15-28-16-18-29(19-17-28)21-10-5-3-6-11-21;1-2-9-25-20-22(27-30(25)24-12-7-4-8-13-24)21-26-14-15-28-16-18-29(19-17-28)23-10-5-3-6-11-23;27-22(26-15-13-25(14-16-26)20-9-5-2-6-10-20)11-12-24-17-21(23-18-24)19-7-3-1-4-8-19;/h12-17,20,27H,3-11,18-19,21-22H2,1-2H3;2,5-6,10-11,13-16,23,28,30H,1,3-4,7-9,12,17-22H2;4-11,16H,12-15,17-18H2,1-3H3,(H,26,31);3-8,10-13,20H,2,9,14-19H2,1H3,(H,26,31);3-8,10-13,20,26H,2,9,14-19,21H2,1H3;1-10,17-18H,11-16H2;1H
• InChIKey: FHDIDLSJTCYETG-UHFFFAOYSA-N
• XLogP: 25.86
• TPSA: 260.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 48
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2547.90
LogP ≤ 5	25.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride?

The IUPAC name of 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride (CID 158030644) is 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride.

What is the SMILES notation for 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride?

The canonical SMILES for 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride is CCCCC1CCCCN1CCCCC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(C)cc1)C2.CCCc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1.CCCc1cc(CNCCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1.Cc1cccc(N2CCN(CC(=O)NCc3cc(C)n(-c4ccccc4)n3)CC2)c1C.F.O=C(CCCNCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(CCn1cnc(-c2ccccc2)c1)N1CCN(c2ccccc2)CC1.

What is the InChIKey of 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride?

The InChIKey is FHDIDLSJTCYETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O2.C28H38ClN3O.2C25H31N5O.C25H33N5.C22H24N4O.FH/c1-3-4-9-27-10-5-7-18-31(27)19-8-6-11-29(33)25-16-17-26-22-32(30(34)28(26)20-25)21-24-14-12-23(2)13-15-24;29-26-15-13-25(14-16-26)28(24-10-5-2-6-11-24)32-20-18-31(19-21-32)27(33)12-7-17-30-22-23-8-3-1-4-9-23;1-19-8-7-11-24(21(19)3)29-14-12-28(13-15-29)18-25(31)26-17-22-16-20(2)30(27-22)23-9-5-4-6-10-23;1-2-9-23-20-24(27-30(23)22-12-7-4-8-13-22)25(31)26-14-15-28-16-18-29(19-17-28)21-10-5-3-6-11-21;1-2-9-25-20-22(27-30(25)24-12-7-4-8-13-24)21-26-14-15-28-16-18-29(19-17-28)23-10-5-3-6-11-23;27-22(26-15-13-25(14-16-26)20-9-5-2-6-10-20)11-12-24-17-21(23-18-24)19-7-3-1-4-8-19;/h12-17,20,27H,3-11,18-19,21-22H2,1-2H3;2,5-6,10-11,13-16,23,28,30H,1,3-4,7-9,12,17-22H2;4-11,16H,12-15,17-18H2,1-3H3,(H,26,31);3-8,10-13,20H,2,9,14-19H2,1H3,(H,26,31);3-8,10-13,20,26H,2,9,14-19,21H2,1H3;1-10,17-18H,11-16H2;1H.

What are the key properties of 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride?

6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride has a molecular weight of 2547.90 g/mol, XLogP of 25.86, 48 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride is sourced from PubChem (CID 158030644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).