2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid

C134H158Br2N18O20 — CID 159559046

About 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid

2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid (PubChem CID 159559046) has the molecular formula C134H158Br2N18O20 and a molecular weight of 2500.65 g/mol. Its IUPAC name is 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid.

Molecular Properties

• Compound Name: 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid
• PubChem CID: 159559046
• Molecular Formula: C134H158Br2N18O20
• Molecular Weight: 2500.65 g/mol
• Exact Mass: 2497.03
• IUPAC Name: 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid
• SMILES: C1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCCCC2)cc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].CCOC(=O)c1ccc(N2CCCCC2)cc1.COC(=O)c1ccc(Br)cc1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCNCC2)cc1.O=C(O)c1ccc(N2CCCCC2)cc1
• InChI: InChI=1S/C29H33N3O3.C23H24N4O.C16H17N3O4.C16H19N3O2.C14H19NO2.C12H15NO2.C11H13BrN2O4.C8H7BrO2.C5H11N/c1-29(2,3)35-28(34)31-26-12-9-23(21-13-15-30-16-14-21)19-24(26)20-27(33)22-7-10-25(11-8-22)32-17-5-4-6-18-32;24-22-6-3-19(17-7-9-25-10-8-17)15-20(22)16-23(28)18-1-4-21(5-2-18)27-13-11-26-12-14-27;1-16(2,3)23-15(20)18-13-5-4-12(10-14(13)19(21)22)11-6-8-17-9-7-11;1-16(2,3)21-15(20)19-14-5-4-12(10-13(14)17)11-6-8-18-9-7-11;1-2-17-14(16)12-6-8-13(9-7-12)15-10-4-3-5-11-15;14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17;1-11-8(10)6-2-4-7(9)5-3-6;1-2-4-6-5-3-1/h7-16,19H,4-6,17-18,20H2,1-3H3,(H,31,34);1-10,15,26H,11-14,16,24H2;4-10H,1-3H3,(H,18,20);4-10H,17H2,1-3H3,(H,19,20);6-9H,2-5,10-11H2,1H3;4-7H,1-3,8-9H2,(H,14,15);4-6H,1-3H3,(H,13,15);2-5H,1H3;6H,1-5H2
• InChIKey: MGJFNUQHQXJZCU-UHFFFAOYSA-N
• XLogP: 29.29
• TPSA: 504.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2500.65
LogP ≤ 5	29.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid?

The IUPAC name of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid (CID 159559046) is 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid.

What is the SMILES notation for 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid?

The canonical SMILES for 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid is C1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCCCC2)cc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].CCOC(=O)c1ccc(N2CCCCC2)cc1.COC(=O)c1ccc(Br)cc1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCNCC2)cc1.O=C(O)c1ccc(N2CCCCC2)cc1.

What is the InChIKey of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid?

The InChIKey is MGJFNUQHQXJZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3.C23H24N4O.C16H17N3O4.C16H19N3O2.C14H19NO2.C12H15NO2.C11H13BrN2O4.C8H7BrO2.C5H11N/c1-29(2,3)35-28(34)31-26-12-9-23(21-13-15-30-16-14-21)19-24(26)20-27(33)22-7-10-25(11-8-22)32-17-5-4-6-18-32;24-22-6-3-19(17-7-9-25-10-8-17)15-20(22)16-23(28)18-1-4-21(5-2-18)27-13-11-26-12-14-27;1-16(2,3)23-15(20)18-13-5-4-12(10-14(13)19(21)22)11-6-8-17-9-7-11;1-16(2,3)21-15(20)19-14-5-4-12(10-13(14)17)11-6-8-18-9-7-11;1-2-17-14(16)12-6-8-13(9-7-12)15-10-4-3-5-11-15;14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17;1-11-8(10)6-2-4-7(9)5-3-6;1-2-4-6-5-3-1/h7-16,19H,4-6,17-18,20H2,1-3H3,(H,31,34);1-10,15,26H,11-14,16,24H2;4-10H,1-3H3,(H,18,20);4-10H,17H2,1-3H3,(H,19,20);6-9H,2-5,10-11H2,1H3;4-7H,1-3,8-9H2,(H,14,15);4-6H,1-3H3,(H,13,15);2-5H,1H3;6H,1-5H2.

What are the key properties of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid?

2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid has a molecular weight of 2500.65 g/mol, XLogP of 29.29, 24 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-pyridin-4-ylphenyl)-1-(4-piperazin-1-ylphenyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]-4-pyridin-4-ylphenyl]carbamate;ethyl 4-piperidin-1-ylbenzoate;methyl 4-bromobenzoate;piperidine;4-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 159559046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).