2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide

C131H139F7N30O20 — CID 157128973

About 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide

2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 157128973) has the molecular formula C131H139F7N30O20 and a molecular weight of 2586.73 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

• Compound Name: 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
• PubChem CID: 157128973
• Molecular Formula: C131H139F7N30O20
• Molecular Weight: 2586.73 g/mol
• Exact Mass: 2585.07
• IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
• SMILES: COc1ccc(F)cc1-c1cc(NC(=O)C(=O)N2CCCCC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CCN2CCCCC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCCC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCCC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCCCC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)ncn1
• InChI: InChI=1S/C24H26FN5O2.C19H21FN4O3.C18H18FN5O4.2C18H19FN4O3.C17H17FN4O3.C17H19FN4O2/c1-32-22-8-7-19(25)13-20(22)21-14-23(27-17-26-21)28-24(31)16-30-11-9-29(10-12-30)15-18-5-3-2-4-6-18;1-27-16-6-5-13(20)10-14(16)15-11-17(22-12-21-15)23-18(25)7-9-24-8-3-2-4-19(24)26;1-18(2)16(26)24(17(27)23-18)8-15(25)22-14-7-12(20-9-21-14)11-6-10(19)4-5-13(11)28-3;1-26-15-6-5-12(19)8-13(15)14-9-16(21-11-20-14)22-17(24)10-23-7-3-2-4-18(23)25;1-26-15-6-5-12(19)9-13(15)14-10-16(21-11-20-14)22-17(24)18(25)23-7-3-2-4-8-23;1-25-14-5-4-11(18)7-12(14)13-8-15(20-10-19-13)21-16(23)9-22-6-2-3-17(22)24;1-24-15-5-4-12(18)8-13(15)14-9-16(20-11-19-14)21-17(23)10-22-6-2-3-7-22/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,27,28,31);5-6,10-12H,2-4,7-9H2,1H3,(H,21,22,23,25);4-7,9H,8H2,1-3H3,(H,23,27)(H,20,21,22,25);5-6,8-9,11H,2-4,7,10H2,1H3,(H,20,21,22,24);5-6,9-11H,2-4,7-8H2,1H3,(H,20,21,22,24);4-5,7-8,10H,2-3,6,9H2,1H3,(H,19,20,21,23);4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,19,20,21,23)
• InChIKey: AIVIEKMALMNJCK-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 589.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2586.73
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?

The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide (CID 157128973) is 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide.

What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?

The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide is COc1ccc(F)cc1-c1cc(NC(=O)C(=O)N2CCCCC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CCN2CCCCC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCCC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCCC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCCCC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)ncn1.

What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?

The InChIKey is AIVIEKMALMNJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2.C19H21FN4O3.C18H18FN5O4.2C18H19FN4O3.C17H17FN4O3.C17H19FN4O2/c1-32-22-8-7-19(25)13-20(22)21-14-23(27-17-26-21)28-24(31)16-30-11-9-29(10-12-30)15-18-5-3-2-4-6-18;1-27-16-6-5-13(20)10-14(16)15-11-17(22-12-21-15)23-18(25)7-9-24-8-3-2-4-19(24)26;1-18(2)16(26)24(17(27)23-18)8-15(25)22-14-7-12(20-9-21-14)11-6-10(19)4-5-13(11)28-3;1-26-15-6-5-12(19)8-13(15)14-9-16(21-11-20-14)22-17(24)10-23-7-3-2-4-18(23)25;1-26-15-6-5-12(19)9-13(15)14-10-16(21-11-20-14)22-17(24)18(25)23-7-3-2-4-8-23;1-25-14-5-4-11(18)7-12(14)13-8-15(20-10-19-13)21-16(23)9-22-6-2-3-17(22)24;1-24-15-5-4-12(18)8-13(15)14-9-16(20-11-19-14)21-17(23)10-22-6-2-3-7-22/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,27,28,31);5-6,10-12H,2-4,7-9H2,1H3,(H,21,22,23,25);4-7,9H,8H2,1-3H3,(H,23,27)(H,20,21,22,25);5-6,8-9,11H,2-4,7,10H2,1H3,(H,20,21,22,24);5-6,9-11H,2-4,7-8H2,1H3,(H,20,21,22,24);4-5,7-8,10H,2-3,6,9H2,1H3,(H,19,20,21,23);4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,19,20,21,23).

What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?

2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 2586.73 g/mol, XLogP of 15.90, 36 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 157128973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).