1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione

C151H138F4N18O21S2 — CID 160654092

About 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione

1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione (PubChem CID 160654092) has the molecular formula C151H138F4N18O21S2 and a molecular weight of 2681.00 g/mol. Its IUPAC name is 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione
• PubChem CID: 160654092
• Molecular Formula: C151H138F4N18O21S2
• Molecular Weight: 2681.00 g/mol
• Exact Mass: 2678.97
• IUPAC Name: 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione
• SMILES: CC(=O)c1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)s1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ncccc2F)cc1.COc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)nc(OC)n1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccsc2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ncccn2)cc1
• InChI: InChI=1S/C26H22F3N3O3.C26H26N4O5.C26H24N2O4S.C25H22FN3O3.C24H22N4O3.C24H22N2O3S/c1-17-16-31(24(34)20-5-3-2-4-6-20)13-14-32(17)25(35)23(33)19-9-7-18(8-10-19)22-12-11-21(15-30-22)26(27,28)29;1-17-16-29(24(32)20-7-5-4-6-8-20)13-14-30(17)25(33)23(31)19-11-9-18(10-12-19)21-15-22(34-2)28-26(27-21)35-3;1-17-16-27(25(31)21-6-4-3-5-7-21)14-15-28(17)26(32)24(30)20-10-8-19(9-11-20)23-13-12-22(33-23)18(2)29;1-17-16-28(24(31)20-6-3-2-4-7-20)14-15-29(17)25(32)23(30)19-11-9-18(10-12-19)22-21(26)8-5-13-27-22;1-17-16-27(23(30)20-6-3-2-4-7-20)14-15-28(17)24(31)21(29)18-8-10-19(11-9-18)22-25-12-5-13-26-22;1-17-15-25(23(28)20-5-3-2-4-6-20)12-13-26(17)24(29)22(27)19-9-7-18(8-10-19)21-11-14-30-16-21/h2-12,15,17H,13-14,16H2,1H3;4-12,15,17H,13-14,16H2,1-3H3;3-13,17H,14-16H2,1-2H3;2-13,17H,14-16H2,1H3;2-13,17H,14-16H2,1H3;2-11,14,16-17H,12-13,15H2,1H3/t;2*17-;;2*17-/m.11.11/s1
• InChIKey: RKUVLBCLRWBABB-OOTLENHLSA-N
• XLogP: 21.33
• TPSA: 459.01 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.00
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione?

The IUPAC name of 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione (CID 160654092) is 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione.

What is the SMILES notation for 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione?

The canonical SMILES for 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione is CC(=O)c1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)s1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ncccc2F)cc1.COc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)nc(OC)n1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccsc2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ncccn2)cc1.

What is the InChIKey of 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione?

The InChIKey is RKUVLBCLRWBABB-OOTLENHLSA-N. The full InChI is InChI=1S/C26H22F3N3O3.C26H26N4O5.C26H24N2O4S.C25H22FN3O3.C24H22N4O3.C24H22N2O3S/c1-17-16-31(24(34)20-5-3-2-4-6-20)13-14-32(17)25(35)23(33)19-9-7-18(8-10-19)22-12-11-21(15-30-22)26(27,28)29;1-17-16-29(24(32)20-7-5-4-6-8-20)13-14-30(17)25(33)23(31)19-11-9-18(10-12-19)21-15-22(34-2)28-26(27-21)35-3;1-17-16-27(25(31)21-6-4-3-5-7-21)14-15-28(17)26(32)24(30)20-10-8-19(9-11-20)23-13-12-22(33-23)18(2)29;1-17-16-28(24(31)20-6-3-2-4-7-20)14-15-29(17)25(32)23(30)19-11-9-18(10-12-19)22-21(26)8-5-13-27-22;1-17-16-27(23(30)20-6-3-2-4-7-20)14-15-28(17)24(31)21(29)18-8-10-19(11-9-18)22-25-12-5-13-26-22;1-17-15-25(23(28)20-5-3-2-4-6-20)12-13-26(17)24(29)22(27)19-9-7-18(8-10-19)21-11-14-30-16-21/h2-12,15,17H,13-14,16H2,1H3;4-12,15,17H,13-14,16H2,1-3H3;3-13,17H,14-16H2,1-2H3;2-13,17H,14-16H2,1H3;2-13,17H,14-16H2,1H3;2-11,14,16-17H,12-13,15H2,1H3/t;2*17-;;2*17-/m.11.11/s1.

What are the key properties of 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione?

1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione has a molecular weight of 2681.00 g/mol, XLogP of 21.33, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-acetylthiophen-2-yl)phenyl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(3-fluoro-2-pyridinyl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrimidin-2-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-3-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]ethane-1,2-dione is sourced from PubChem (CID 160654092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).