N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide

C145H158N50O24S — CID 158093791

About N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide

N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide (PubChem CID 158093791) has the molecular formula C145H158N50O24S and a molecular weight of 3017.25 g/mol. Its IUPAC name is N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 158093791
• Molecular Formula: C145H158N50O24S
• Molecular Weight: 3017.25 g/mol
• Exact Mass: 3015.24
• IUPAC Name: N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide
• SMILES: C[C@@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C[C@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cnco3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nccs3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCNCC3)cn2)n(C)c1=O
• InChI: InChI=1S/C27H29N7O4.C25H26N8O4.2C20H25N7O3.C18H22N8O3.C18H16N6O4.C17H15N7O3S/c1-18-15-32(25(36)19-7-5-4-6-8-19)13-14-34(18)21-11-9-20(10-12-21)29-22(35)16-33-17-28-24-23(33)26(37)31(3)27(38)30(24)2;1-29-22-21(24(36)30(2)25(29)37)33(16-27-22)15-20(34)28-19-9-8-18(14-26-19)31-10-12-32(13-11-31)23(35)17-6-4-3-5-7-17;2*1-13-10-21-8-9-27(13)15-6-4-14(5-7-15)23-16(28)11-26-12-22-18-17(26)19(29)25(3)20(30)24(18)2;1-23-16-15(17(28)24(2)18(23)29)26(11-21-16)10-14(27)22-13-4-3-12(9-20-13)25-7-5-19-6-8-25;1-22-16-15(17(26)23(2)18(22)27)24(9-20-16)8-14(25)21-12-5-3-11(4-6-12)13-7-19-10-28-13;1-22-14-13(16(26)23(2)17(22)27)24(9-20-14)8-12(25)21-11-4-3-10(7-19-11)15-18-5-6-28-15/h4-12,17-18H,13-16H2,1-3H3,(H,29,35);3-9,14,16H,10-13,15H2,1-2H3,(H,26,28,34);2*4-7,12-13,21H,8-11H2,1-3H3,(H,23,28);3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,22,27);3-7,9-10H,8H2,1-2H3,(H,21,25);3-7,9H,8H2,1-2H3,(H,19,21,25)/t18-;;2*13-;;;/m0.10.../s1
• InChIKey: FOKSNGOEDLSIAA-NTRJPJHKSA-N
• XLogP: 1.79
• TPSA: 806.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 66
• Rotatable Bonds: 30
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3017.25
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide (CID 158093791) is N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide is C[C@@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.C[C@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cnco3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nccs3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCNCC3)cn2)n(C)c1=O.

What is the InChIKey of N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide?

The InChIKey is FOKSNGOEDLSIAA-NTRJPJHKSA-N. The full InChI is InChI=1S/C27H29N7O4.C25H26N8O4.2C20H25N7O3.C18H22N8O3.C18H16N6O4.C17H15N7O3S/c1-18-15-32(25(36)19-7-5-4-6-8-19)13-14-34(18)21-11-9-20(10-12-21)29-22(35)16-33-17-28-24-23(33)26(37)31(3)27(38)30(24)2;1-29-22-21(24(36)30(2)25(29)37)33(16-27-22)15-20(34)28-19-9-8-18(14-26-19)31-10-12-32(13-11-31)23(35)17-6-4-3-5-7-17;2*1-13-10-21-8-9-27(13)15-6-4-14(5-7-15)23-16(28)11-26-12-22-18-17(26)19(29)25(3)20(30)24(18)2;1-23-16-15(17(28)24(2)18(23)29)26(11-21-16)10-14(27)22-13-4-3-12(9-20-13)25-7-5-19-6-8-25;1-22-16-15(17(26)23(2)18(22)27)24(9-20-16)8-14(25)21-12-5-3-11(4-6-12)13-7-19-10-28-13;1-22-14-13(16(26)23(2)17(22)27)24(9-20-14)8-12(25)21-11-4-3-10(7-19-11)15-18-5-6-28-15/h4-12,17-18H,13-16H2,1-3H3,(H,29,35);3-9,14,16H,10-13,15H2,1-2H3,(H,26,28,34);2*4-7,12-13,21H,8-11H2,1-3H3,(H,23,28);3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,22,27);3-7,9-10H,8H2,1-2H3,(H,21,25);3-7,9H,8H2,1-2H3,(H,19,21,25)/t18-;;2*13-;;;/m0.10.../s1.

What are the key properties of N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide?

N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide has a molecular weight of 3017.25 g/mol, XLogP of 1.79, 30 rotatable bonds, 10 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158093791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).