1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one

C152H212F6N24O8 — CID 159163865

About 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one

1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one (PubChem CID 159163865) has the molecular formula C152H212F6N24O8 and a molecular weight of 2617.52 g/mol. Its IUPAC name is 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
• PubChem CID: 159163865
• Molecular Formula: C152H212F6N24O8
• Molecular Weight: 2617.52 g/mol
• Exact Mass: 2615.68
• IUPAC Name: 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
• SMILES: C=CC(=C)NC1CCN(C(=O)CC(=O)N2CCN(c3ccc(C)cc3)CC2)CC1.C=CC(=C)NC1CCN(C(=O)CCN2CCN(c3ccc(C)cc3)CC2)CC1.COC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.Cc1ccc(C2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)nc1.Cc1ccc(NC2CCN(C(=O)CCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C30H41F3N4O.C28H36F3N3O.C27H36N6O.C23H32N4O2.C23H34N4O.C21H33N3O2/c1-22-5-8-25(21-27(22)30(31,32)33)34-24-11-15-37(16-12-24)28(38)13-14-35-17-19-36(20-18-35)26-9-6-23(7-10-26)29(2,3)4;1-20-3-6-22(7-4-20)23-9-14-33(15-10-23)16-13-27(35)34-17-11-24(12-18-34)32-25-8-5-21(2)26(19-25)28(29,30)31;1-21-5-8-26(29-20-21)32-16-14-31(15-17-32)11-3-4-27(34)33-12-9-24(10-13-33)30-25-7-6-23(19-28)22(2)18-25;1-4-19(3)24-20-9-11-26(12-10-20)22(28)17-23(29)27-15-13-25(14-16-27)21-7-5-18(2)6-8-21;1-4-20(3)24-21-9-13-27(14-10-21)23(28)11-12-25-15-17-26(18-16-25)22-7-5-19(2)6-8-22;1-18-5-7-19(8-6-18)23-16-14-22(15-17-23)11-3-4-21(25)24-12-9-20(26-2)10-13-24/h5-10,21,24,34H,11-20H2,1-4H3;3-8,19,23-24,32H,9-18H2,1-2H3;5-8,18,20,24,30H,3-4,9-17H2,1-2H3;4-8,20,24H,1,3,9-17H2,2H3;4-8,21,24H,1,3,9-18H2,2H3;5-8,20H,3-4,9-17H2,1-2H3
• InChIKey: KKVDOCOQLFZSCU-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 280.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2617.52
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?

The IUPAC name of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one (CID 159163865) is 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?

The canonical SMILES for 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one is C=CC(=C)NC1CCN(C(=O)CC(=O)N2CCN(c3ccc(C)cc3)CC2)CC1.C=CC(=C)NC1CCN(C(=O)CCN2CCN(c3ccc(C)cc3)CC2)CC1.COC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.Cc1ccc(C2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)nc1.Cc1ccc(NC2CCN(C(=O)CCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?

The InChIKey is KKVDOCOQLFZSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3N4O.C28H36F3N3O.C27H36N6O.C23H32N4O2.C23H34N4O.C21H33N3O2/c1-22-5-8-25(21-27(22)30(31,32)33)34-24-11-15-37(16-12-24)28(38)13-14-35-17-19-36(20-18-35)26-9-6-23(7-10-26)29(2,3)4;1-20-3-6-22(7-4-20)23-9-14-33(15-10-23)16-13-27(35)34-17-11-24(12-18-34)32-25-8-5-21(2)26(19-25)28(29,30)31;1-21-5-8-26(29-20-21)32-16-14-31(15-17-32)11-3-4-27(34)33-12-9-24(10-13-33)30-25-7-6-23(19-28)22(2)18-25;1-4-19(3)24-20-9-11-26(12-10-20)22(28)17-23(29)27-15-13-25(14-16-27)21-7-5-18(2)6-8-21;1-4-20(3)24-21-9-13-27(14-10-21)23(28)11-12-25-15-17-26(18-16-25)22-7-5-19(2)6-8-22;1-18-5-7-19(8-6-18)23-16-14-22(15-17-23)11-3-4-21(25)24-12-9-20(26-2)10-13-24/h5-10,21,24,34H,11-20H2,1-4H3;3-8,19,23-24,32H,9-18H2,1-2H3;5-8,18,20,24,30H,3-4,9-17H2,1-2H3;4-8,20,24H,1,3,9-17H2,2H3;4-8,21,24H,1,3,9-18H2,2H3;5-8,20H,3-4,9-17H2,1-2H3.

What are the key properties of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?

1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one has a molecular weight of 2617.52 g/mol, XLogP of 23.13, 38 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,3-dione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-(4-methoxypiperidin-1-yl)-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 159163865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).