3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one

C160H222ClF3N30O11 — CID 158430486

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one

3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one (PubChem CID 158430486) has the molecular formula C160H222ClF3N30O11 and a molecular weight of 2834.18 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one
• PubChem CID: 158430486
• Molecular Formula: C160H222ClF3N30O11
• Molecular Weight: 2834.18 g/mol
• Exact Mass: 2831.74
• IUPAC Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one
• SMILES: CCOc1ccc(N2CCC(CN(C)C(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1cc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4cc(C)c([N+](=O)[O-])cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)c(C)n4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)nc4)CC3)CC2)cc1
• InChI: InChI=1S/C29H39F3N4O2.C27H39N5O.C26H34ClN5O3.C26H36N6O3.2C26H37N5O/c1-4-38-26-9-7-25(8-10-26)35-15-11-22(12-16-35)20-34(3)28(37)36-17-13-23(14-18-36)33-24-6-5-21(2)27(19-24)29(30,31)32;1-21-6-9-25(10-7-21)31-19-17-30(18-20-31)14-4-5-27(33)32-15-12-24(13-16-32)29-26-11-8-22(2)23(3)28-26;1-19-17-23(5-8-25(19)32(34)35)28-22-9-11-31(12-10-22)26(33)20(2)18-29-13-15-30(16-14-29)24-6-3-21(27)4-7-24;1-20-5-7-23(8-6-20)30-16-14-29(15-17-30)11-3-4-26(33)31-12-9-22(10-13-31)28-25-18-21(2)24(19-27-25)32(34)35;1-21-5-9-25(10-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-24-8-7-22(2)27-20-24;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25/h5-10,19,22-23,33H,4,11-18,20H2,1-3H3;6-11,24H,4-5,12-20H2,1-3H3,(H,28,29);3-8,17,20,22,28H,9-16,18H2,1-2H3;5-8,18-19,22H,3-4,9-17H2,1-2H3,(H,27,28);5-10,20,23,28H,3-4,11-19H2,1-2H3;5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28)
• InChIKey: HBPCXOPHBZDHDH-UHFFFAOYSA-N
• XLogP: 25.71
• TPSA: 379.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2834.18
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one (CID 158430486) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one.

What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one is CCOc1ccc(N2CCC(CN(C)C(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1cc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4cc(C)c([N+](=O)[O-])cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)c(C)n4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)nc4)CC3)CC2)cc1.

What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

The InChIKey is HBPCXOPHBZDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39F3N4O2.C27H39N5O.C26H34ClN5O3.C26H36N6O3.2C26H37N5O/c1-4-38-26-9-7-25(8-10-26)35-15-11-22(12-16-35)20-34(3)28(37)36-17-13-23(14-18-36)33-24-6-5-21(2)27(19-24)29(30,31)32;1-21-6-9-25(10-7-21)31-19-17-30(18-20-31)14-4-5-27(33)32-15-12-24(13-16-32)29-26-11-8-22(2)23(3)28-26;1-19-17-23(5-8-25(19)32(34)35)28-22-9-11-31(12-10-22)26(33)20(2)18-29-13-15-30(16-14-29)24-6-3-21(27)4-7-24;1-20-5-7-23(8-6-20)30-16-14-29(15-17-30)11-3-4-26(33)31-12-9-22(10-13-31)28-25-18-21(2)24(19-27-25)32(34)35;1-21-5-9-25(10-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-24-8-7-22(2)27-20-24;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25/h5-10,19,22-23,33H,4,11-18,20H2,1-3H3;6-11,24H,4-5,12-20H2,1-3H3,(H,28,29);3-8,17,20,22,28H,9-16,18H2,1-2H3;5-8,18-19,22H,3-4,9-17H2,1-2H3,(H,27,28);5-10,20,23,28H,3-4,11-19H2,1-2H3;5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28).

What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one has a molecular weight of 2834.18 g/mol, XLogP of 25.71, 43 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]propan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 158430486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).