1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)

C123H145F2N21O10S4 — CID 167679766

About 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)

1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) (PubChem CID 167679766) has the molecular formula C123H145F2N21O10S4 and a molecular weight of 2243.91 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide).

Molecular Properties

• Compound Name: 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)
• PubChem CID: 167679766
• Molecular Formula: C123H145F2N21O10S4
• Molecular Weight: 2243.91 g/mol
• Exact Mass: 2242.03
• IUPAC Name: 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)
• SMILES: CC(C)N1CCN(C)CC1.CN1CCC(NC(C)(C)C)CC1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.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
• InChI: InChI=1S/2C19H14FN3O3S.2C19H15N3O2S.C15H24N2.C14H23N3.C10H22N2.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;2*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;1-13-5-7-14(8-6-13)16-9-11-17(12-10-16)15(2,3)4;1-12-5-6-13(15-11-12)16-7-9-17(10-8-16)14(2,3)4;1-10(2,3)11-9-5-7-12(4)8-6-9;1-8(2)10-6-4-9(3)5-7-10/h2*1-9,16,24H,10H2,(H,21,22,25);2*1-11,16H,12H2,(H,20,21,23);5-8H,9-12H2,1-4H3;5-6,11H,7-10H2,1-4H3;9,11H,5-8H2,1-4H3;8H,4-7H2,1-3H3
• InChIKey: VITSRCTXTNWWES-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 337.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.91
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

The IUPAC name of 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) (CID 167679766) is 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide).

What is the SMILES notation for 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

The canonical SMILES for 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) is CC(C)N1CCN(C)CC1.CN1CCC(NC(C)(C)C)CC1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.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.

What is the InChIKey of 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

The InChIKey is VITSRCTXTNWWES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14FN3O3S.2C19H15N3O2S.C15H24N2.C14H23N3.C10H22N2.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;2*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;1-13-5-7-14(8-6-13)16-9-11-17(12-10-16)15(2,3)4;1-12-5-6-13(15-11-12)16-7-9-17(10-8-16)14(2,3)4;1-10(2,3)11-9-5-7-12(4)8-6-9;1-8(2)10-6-4-9(3)5-7-10/h2*1-9,16,24H,10H2,(H,21,22,25);2*1-11,16H,12H2,(H,20,21,23);5-8H,9-12H2,1-4H3;5-6,11H,7-10H2,1-4H3;9,11H,5-8H2,1-4H3;8H,4-7H2,1-3H3.

What are the key properties of 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide)?

1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) has a molecular weight of 2243.91 g/mol, XLogP of 20.94, 20 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(4-methylphenyl)piperazine;N-tert-butyl-1-methylpiperidin-4-amine;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;bis(2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide) is sourced from PubChem (CID 167679766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).