[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one

C154H143N13O13 — CID 159858186

About [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one

[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one (PubChem CID 159858186) has the molecular formula C154H143N13O13 and a molecular weight of 2383.92 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one
• PubChem CID: 159858186
• Molecular Formula: C154H143N13O13
• Molecular Weight: 2383.92 g/mol
• Exact Mass: 2382.09
• IUPAC Name: [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one
• SMILES: CCC(=O)c1ccc(/C=C/c2ccncc2)cc1.COC(=O)c1ccc(/C=C/C=C/c2ccncc2)cc1.COc1ccc(C(=O)C2CCN(C(=O)c3ccc(/C=C/c4ccncc4)cc3)CC2)cc1.COc1ccc(C(=O)N2CCN(C(=O)c3ccc(/C=C/c4ccncc4)cc3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(/C=C/c4ccncc4)cc3)CC2)cc1.Cc1ccc(NC(=O)c2ccc(/C=C/c3ccncc3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(/C=C/c3ccncc3)cc2)cc1
• InChI: InChI=1S/C27H26N2O3.C26H25N3O3.C26H26N2O2.2C21H18N2O.C17H15NO2.C16H15NO/c1-32-25-10-8-22(9-11-25)26(30)23-14-18-29(19-15-23)27(31)24-6-4-20(5-7-24)2-3-21-12-16-28-17-13-21;1-32-24-10-8-23(9-11-24)26(31)29-18-16-28(17-19-29)25(30)22-6-4-20(5-7-22)2-3-21-12-14-27-15-13-21;1-30-25-10-8-22(9-11-25)23-14-18-28(19-15-23)26(29)24-6-4-20(5-7-24)2-3-21-12-16-27-17-13-21;2*1-16-2-10-20(11-3-16)23-21(24)19-8-6-17(7-9-19)4-5-18-12-14-22-15-13-18;1-20-17(19)16-8-6-14(7-9-16)4-2-3-5-15-10-12-18-13-11-15;1-2-16(18)15-7-5-13(6-8-15)3-4-14-9-11-17-12-10-14/h2-13,16-17,23H,14-15,18-19H2,1H3;2-15H,16-19H2,1H3;2-13,16-17,23H,14-15,18-19H2,1H3;2*2-15H,1H3,(H,23,24);2-13H,1H3;3-12H,2H2,1H3/b3*3-2+;2*5-4+;4-2+,5-3+;4-3+
• InChIKey: NQUKMBNFKCLJCB-FGBKKXGJSA-N
• XLogP: 31.20
• TPSA: 317.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.92
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one?

The IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one (CID 159858186) is [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one.

What is the SMILES notation for [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one?

The canonical SMILES for [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one is CCC(=O)c1ccc(/C=C/c2ccncc2)cc1.COC(=O)c1ccc(/C=C/C=C/c2ccncc2)cc1.COc1ccc(C(=O)C2CCN(C(=O)c3ccc(/C=C/c4ccncc4)cc3)CC2)cc1.COc1ccc(C(=O)N2CCN(C(=O)c3ccc(/C=C/c4ccncc4)cc3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(/C=C/c4ccncc4)cc3)CC2)cc1.Cc1ccc(NC(=O)c2ccc(/C=C/c3ccncc3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(/C=C/c3ccncc3)cc2)cc1.

What is the InChIKey of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one?

The InChIKey is NQUKMBNFKCLJCB-FGBKKXGJSA-N. The full InChI is InChI=1S/C27H26N2O3.C26H25N3O3.C26H26N2O2.2C21H18N2O.C17H15NO2.C16H15NO/c1-32-25-10-8-22(9-11-25)26(30)23-14-18-29(19-15-23)27(31)24-6-4-20(5-7-24)2-3-21-12-16-28-17-13-21;1-32-24-10-8-23(9-11-24)26(31)29-18-16-28(17-19-29)25(30)22-6-4-20(5-7-22)2-3-21-12-14-27-15-13-21;1-30-25-10-8-22(9-11-25)23-14-18-28(19-15-23)26(29)24-6-4-20(5-7-24)2-3-21-12-16-27-17-13-21;2*1-16-2-10-20(11-3-16)23-21(24)19-8-6-17(7-9-19)4-5-18-12-14-22-15-13-18;1-20-17(19)16-8-6-14(7-9-16)4-2-3-5-15-10-12-18-13-11-15;1-2-16(18)15-7-5-13(6-8-15)3-4-14-9-11-17-12-10-14/h2-13,16-17,23H,14-15,18-19H2,1H3;2-15H,16-19H2,1H3;2-13,16-17,23H,14-15,18-19H2,1H3;2*2-15H,1H3,(H,23,24);2-13H,1H3;3-12H,2H2,1H3/b3*3-2+;2*5-4+;4-2+,5-3+;4-3+.

What are the key properties of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one?

[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one has a molecular weight of 2383.92 g/mol, XLogP of 31.20, 32 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone;(4-methoxyphenyl)-[1-[4-[(E)-2-pyridin-4-ylethenyl]benzoyl]piperidin-4-yl]methanone;bis(N-(4-methylphenyl)-4-[(E)-2-pyridin-4-ylethenyl]benzamide);methyl 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzoate;1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]propan-1-one is sourced from PubChem (CID 159858186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).