2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid

C125H163N15O25 — CID 159909007

About 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid

2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid (PubChem CID 159909007) has the molecular formula C125H163N15O25 and a molecular weight of 2275.76 g/mol. Its IUPAC name is 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid.

Molecular Properties

• Compound Name: 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid
• PubChem CID: 159909007
• Molecular Formula: C125H163N15O25
• Molecular Weight: 2275.76 g/mol
• Exact Mass: 2274.19
• IUPAC Name: 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid
• SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCO.CCCCOCCOCCOCCC(=O)OC(C)(C)C.CCCOCCOCCOCCC(=O)OC(C)(C)C.COC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2cnc(-c3ccccc3)nc2)c1.Nc1ccc(N2CCCCC2)cc1C(=O)Nc1ncc(-c2ccccc2)cn1.O=C(O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2cnc(-c3ccccc3)nc2)c1
• InChI: InChI=1S/C31H29N5O4.C30H27N5O4.C22H23N5O.C15H30O5.C14H28O5.C13H26O6/c1-40-31(39)23-12-8-11-22(17-23)29(37)35-27-14-13-25(36-15-6-3-7-16-36)18-26(27)30(38)34-24-19-32-28(33-20-24)21-9-4-2-5-10-21;36-28(21-10-7-11-22(16-21)30(38)39)34-26-13-12-24(35-14-5-2-6-15-35)17-25(26)29(37)33-23-18-31-27(32-19-23)20-8-3-1-4-9-20;23-20-10-9-18(27-11-5-2-6-12-27)13-19(20)21(28)26-22-24-14-17(15-25-22)16-7-3-1-4-8-16;1-5-6-8-17-10-12-19-13-11-18-9-7-14(16)20-15(2,3)4;1-5-7-16-9-11-18-12-10-17-8-6-13(15)19-14(2,3)4;1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h2,4-5,8-14,17-20H,3,6-7,15-16H2,1H3,(H,34,38)(H,35,37);1,3-4,7-13,16-19H,2,5-6,14-15H2,(H,33,37)(H,34,36)(H,38,39);1,3-4,7-10,13-15H,2,5-6,11-12,23H2,(H,24,25,26,28);5-13H2,1-4H3;5-12H2,1-4H3;14H,4-11H2,1-3H3
• InChIKey: NWYARGKNRLJVNH-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 504.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 52
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2275.76
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid?

The IUPAC name of 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid (CID 159909007) is 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid.

What is the SMILES notation for 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid?

The canonical SMILES for 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid is CC(C)(C)OC(=O)CCOCCOCCOCCO.CCCCOCCOCCOCCC(=O)OC(C)(C)C.CCCOCCOCCOCCC(=O)OC(C)(C)C.COC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2cnc(-c3ccccc3)nc2)c1.Nc1ccc(N2CCCCC2)cc1C(=O)Nc1ncc(-c2ccccc2)cn1.O=C(O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2cnc(-c3ccccc3)nc2)c1.

What is the InChIKey of 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid?

The InChIKey is NWYARGKNRLJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O4.C30H27N5O4.C22H23N5O.C15H30O5.C14H28O5.C13H26O6/c1-40-31(39)23-12-8-11-22(17-23)29(37)35-27-14-13-25(36-15-6-3-7-16-36)18-26(27)30(38)34-24-19-32-28(33-20-24)21-9-4-2-5-10-21;36-28(21-10-7-11-22(16-21)30(38)39)34-26-13-12-24(35-14-5-2-6-15-35)17-25(26)29(37)33-23-18-31-27(32-19-23)20-8-3-1-4-9-20;23-20-10-9-18(27-11-5-2-6-12-27)13-19(20)21(28)26-22-24-14-17(15-25-22)16-7-3-1-4-8-16;1-5-6-8-17-10-12-19-13-11-18-9-7-14(16)20-15(2,3)4;1-5-7-16-9-11-18-12-10-17-8-6-13(15)19-14(2,3)4;1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h2,4-5,8-14,17-20H,3,6-7,15-16H2,1H3,(H,34,38)(H,35,37);1,3-4,7-13,16-19H,2,5-6,14-15H2,(H,33,37)(H,34,36)(H,38,39);1,3-4,7-10,13-15H,2,5-6,11-12,23H2,(H,24,25,26,28);5-13H2,1-4H3;5-12H2,1-4H3;14H,4-11H2,1-3H3.

What are the key properties of 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid?

2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid has a molecular weight of 2275.76 g/mol, XLogP of 20.24, 52 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(5-phenylpyrimidin-2-yl)-5-piperidin-1-ylbenzamide;tert-butyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methyl 3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoate;3-[[2-[(2-phenylpyrimidin-5-yl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 159909007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).