1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione

C148H143ClN18O19S — CID 160725601

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione (PubChem CID 160725601) has the molecular formula C148H143ClN18O19S and a molecular weight of 2545.40 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione
• PubChem CID: 160725601
• Molecular Formula: C148H143ClN18O19S
• Molecular Weight: 2545.40 g/mol
• Exact Mass: 2543.02
• IUPAC Name: 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione
• SMILES: C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cccs2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccncc2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(N2CCCC2)cc1.Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c(Cl)c2)on1.Cc1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)nc1.Cc1ccnc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cc2)n1
• InChI: InChI=1S/C26H25N3O3.C25H24N4O3.C25H23N3O3.C24H22ClN3O4.C24H27N3O3.C24H22N2O3S/c1-18-8-13-23(27-16-18)20-9-11-21(12-10-20)24(30)26(32)29-15-14-28(17-19(29)2)25(31)22-6-4-3-5-7-22;1-17-12-13-26-23(27-17)20-10-8-19(9-11-20)22(30)25(32)29-15-14-28(16-18(29)2)24(31)21-6-4-3-5-7-21;1-18-17-27(24(30)22-5-3-2-4-6-22)15-16-28(18)25(31)23(29)21-9-7-19(8-10-21)20-11-13-26-14-12-20;1-15-12-21(32-26-15)18-8-9-19(20(25)13-18)22(29)24(31)28-11-10-27(14-16(28)2)23(30)17-6-4-3-5-7-17;1-18-17-26(23(29)20-7-3-2-4-8-20)15-16-27(18)24(30)22(28)19-9-11-21(12-10-19)25-13-5-6-14-25;1-17-16-25(23(28)20-6-3-2-4-7-20)13-14-26(17)24(29)22(27)19-11-9-18(10-12-19)21-8-5-15-30-21/h3-13,16,19H,14-15,17H2,1-2H3;3-13,18H,14-16H2,1-2H3;2-14,18H,15-17H2,1H3;3-9,12-13,16H,10-11,14H2,1-2H3;2-4,7-12,18H,5-6,13-17H2,1H3;2-12,15,17H,13-14,16H2,1H3/t19-;;18-;16-;18-;17-/m1.1111/s1
• InChIKey: RTQYMRXPNBDFIB-AREIDUGBSA-N
• XLogP: 20.60
• TPSA: 426.97 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2545.40
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione?

The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione (CID 160725601) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione.

What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione?

The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cccs2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccncc2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(N2CCCC2)cc1.Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c(Cl)c2)on1.Cc1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)nc1.Cc1ccnc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cc2)n1.

What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione?

The InChIKey is RTQYMRXPNBDFIB-AREIDUGBSA-N. The full InChI is InChI=1S/C26H25N3O3.C25H24N4O3.C25H23N3O3.C24H22ClN3O4.C24H27N3O3.C24H22N2O3S/c1-18-8-13-23(27-16-18)20-9-11-21(12-10-20)24(30)26(32)29-15-14-28(17-19(29)2)25(31)22-6-4-3-5-7-22;1-17-12-13-26-23(27-17)20-10-8-19(9-11-20)22(30)25(32)29-15-14-28(16-18(29)2)24(31)21-6-4-3-5-7-21;1-18-17-27(24(30)22-5-3-2-4-6-22)15-16-28(18)25(31)23(29)21-9-7-19(8-10-21)20-11-13-26-14-12-20;1-15-12-21(32-26-15)18-8-9-19(20(25)13-18)22(29)24(31)28-11-10-27(14-16(28)2)23(30)17-6-4-3-5-7-17;1-18-17-26(23(29)20-7-3-2-4-8-20)15-16-27(18)24(30)22(28)19-9-11-21(12-10-19)25-13-5-6-14-25;1-17-16-25(23(28)20-6-3-2-4-7-20)13-14-26(17)24(29)22(27)19-11-9-18(10-12-19)21-8-5-15-30-21/h3-13,16,19H,14-15,17H2,1-2H3;3-13,18H,14-16H2,1-2H3;2-14,18H,15-17H2,1H3;3-9,12-13,16H,10-11,14H2,1-2H3;2-4,7-12,18H,5-6,13-17H2,1H3;2-12,15,17H,13-14,16H2,1H3/t19-;;18-;16-;18-;17-/m1.1111/s1.

What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione?

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione has a molecular weight of 2545.40 g/mol, XLogP of 20.60, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione is sourced from PubChem (CID 160725601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).