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

C125H157ClN22O4 — CID 158651390

About 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

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 (PubChem CID 158651390) has the molecular formula C125H157ClN22O4 and a molecular weight of 2067.23 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158651390
• Molecular Formula: C125H157ClN22O4
• Molecular Weight: 2067.23 g/mol
• Exact Mass: 2065.24
• IUPAC Name: 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
• SMILES: 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.O=C(CCCNCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(CCn1cnc(-c2ccccc2)c1)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C28H38ClN3O.2C25H31N5O.C25H33N5.C22H24N4O/c29-26-15-13-25(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/h2,5-6,10-11,13-16,23,28,30H,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
• InChIKey: IBPGVOCTZSJBNK-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 220.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2067.23
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 158651390) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.O=C(CCCNCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(CCn1cnc(-c2ccccc2)c1)N1CCN(c2ccccc2)CC1.

What is the InChIKey of 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?

The InChIKey is IBPGVOCTZSJBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN3O.2C25H31N5O.C25H33N5.C22H24N4O/c29-26-15-13-25(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/h2,5-6,10-11,13-16,23,28,30H,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.

What are the key properties of 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?

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 has a molecular weight of 2067.23 g/mol, XLogP of 19.16, 37 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158651390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).