bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)

C161H185F2N27O12S5 — CID 167537085

About bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)

bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) (PubChem CID 167537085) has the molecular formula C161H185F2N27O12S5 and a molecular weight of 2888.76 g/mol. Its IUPAC name is bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide).

Molecular Properties

• Compound Name: bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)
• PubChem CID: 167537085
• Molecular Formula: C161H185F2N27O12S5
• Molecular Weight: 2888.76 g/mol
• Exact Mass: 2886.33
• IUPAC Name: bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)
• SMILES: CC(C)N1CCN(C)CC1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)nc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)nc1.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O
• InChI: InChI=1S/2C19H14FN3O3S.3C19H15N3O2S.2C15H24N2.2C14H23N3.C8H18N2/c2*20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26;3*23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24;2*1-13-5-7-14(8-6-13)16-9-11-17(12-10-16)15(2,3)4;2*1-12-5-6-13(15-11-12)16-7-9-17(10-8-16)14(2,3)4;1-8(2)10-6-4-9(3)5-7-10/h2*1-9,16,24H,10H2,(H,21,22,25);3*1-11,16H,12H2,(H,20,21,23);2*5-8H,9-12H2,1-4H3;2*5-6,11H,7-10H2,1-4H3;8H,4-7H2,1-3H3
• InChIKey: ARTCGBLJHYJRPC-UHFFFAOYSA-N
• XLogP: 28.18
• TPSA: 410.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2888.76
LogP ≤ 5	28.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

The IUPAC name of bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) (CID 167537085) is bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide).

What is the SMILES notation for bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

The canonical SMILES for bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) is CC(C)N1CCN(C)CC1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)nc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)nc1.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O.

What is the InChIKey of bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

The InChIKey is ARTCGBLJHYJRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14FN3O3S.3C19H15N3O2S.2C15H24N2.2C14H23N3.C8H18N2/c2*20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26;3*23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24;2*1-13-5-7-14(8-6-13)16-9-11-17(12-10-16)15(2,3)4;2*1-12-5-6-13(15-11-12)16-7-9-17(10-8-16)14(2,3)4;1-8(2)10-6-4-9(3)5-7-10/h2*1-9,16,24H,10H2,(H,21,22,25);3*1-11,16H,12H2,(H,20,21,23);2*5-8H,9-12H2,1-4H3;2*5-6,11H,7-10H2,1-4H3;8H,4-7H2,1-3H3.

What are the key properties of bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) has a molecular weight of 2888.76 g/mol, XLogP of 28.18, 25 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-tert-butyl-4-(4-methylphenyl)piperazine);bis(1-tert-butyl-4-(5-methyl-2-pyridinyl)piperazine);bis(2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide);1-methyl-4-propan-2-ylpiperazine;tris(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) is sourced from PubChem (CID 167537085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).