N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one

C100H144F3N19O9S2 — CID 159924313

About N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one

N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 159924313) has the molecular formula C100H144F3N19O9S2 and a molecular weight of 1877.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one
• PubChem CID: 159924313
• Molecular Formula: C100H144F3N19O9S2
• Molecular Weight: 1877.50 g/mol
• Exact Mass: 1876.08
• IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one
• SMILES: CC(C)C(=O)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3s2)CC1.CC(C)C(=O)NCCNc1ncccn1.CCN(C(=O)CN1CCN(C(=O)C(C)C)CC1)c1ccc(C)cc1.CCc1ccc2nc(CN3CCN(C(=O)C(C)C)CC3)sc2c1.Cc1ccc(CNC(=O)CN2CCN(C(=O)C(C)C)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)c(C)c1
• InChI: InChI=1S/C19H29N3O2.2C18H27N3O2.C18H25N3OS.C17H20F3N3OS.C10H16N4O/c1-5-22(17-8-6-16(4)7-9-17)18(23)14-20-10-12-21(13-11-20)19(24)15(2)3;1-13(2)18(23)21-9-7-20(8-10-21)12-17(22)19-16-6-5-14(3)11-15(16)4;1-14(2)18(23)21-10-8-20(9-11-21)13-17(22)19-12-16-6-4-15(3)5-7-16;1-4-14-5-6-15-16(11-14)23-17(19-15)12-20-7-9-21(10-8-20)18(22)13(2)3;1-11(2)16(24)23-7-5-22(6-8-23)10-15-21-13-9-12(17(18,19)20)3-4-14(13)25-15;1-8(2)9(15)11-6-7-14-10-12-4-3-5-13-10/h6-9,15H,5,10-14H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3,(H,19,22);4-7,14H,8-13H2,1-3H3,(H,19,22);5-6,11,13H,4,7-10,12H2,1-3H3;3-4,9,11H,5-8,10H2,1-2H3;3-5,8H,6-7H2,1-2H3,(H,11,15)(H,12,13,14)
• InChIKey: NYUSFXDAKGBEBA-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 288.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.50
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one?

The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one (CID 159924313) is N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3s2)CC1.CC(C)C(=O)NCCNc1ncccn1.CCN(C(=O)CN1CCN(C(=O)C(C)C)CC1)c1ccc(C)cc1.CCc1ccc2nc(CN3CCN(C(=O)C(C)C)CC3)sc2c1.Cc1ccc(CNC(=O)CN2CCN(C(=O)C(C)C)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)c(C)c1.

What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one?

The InChIKey is NYUSFXDAKGBEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2C18H27N3O2.C18H25N3OS.C17H20F3N3OS.C10H16N4O/c1-5-22(17-8-6-16(4)7-9-17)18(23)14-20-10-12-21(13-11-20)19(24)15(2)3;1-13(2)18(23)21-9-7-20(8-10-21)12-17(22)19-16-6-5-14(3)11-15(16)4;1-14(2)18(23)21-10-8-20(9-11-21)13-17(22)19-12-16-6-4-15(3)5-7-16;1-4-14-5-6-15-16(11-14)23-17(19-15)12-20-7-9-21(10-8-20)18(22)13(2)3;1-11(2)16(24)23-7-5-22(6-8-23)10-15-21-13-9-12(17(18,19)20)3-4-14(13)25-15;1-8(2)9(15)11-6-7-14-10-12-4-3-5-13-10/h6-9,15H,5,10-14H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3,(H,19,22);4-7,14H,8-13H2,1-3H3,(H,19,22);5-6,11,13H,4,7-10,12H2,1-3H3;3-4,9,11H,5-8,10H2,1-2H3;3-5,8H,6-7H2,1-2H3,(H,11,15)(H,12,13,14).

What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one?

N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 1877.50 g/mol, XLogP of 13.04, 26 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;1-[4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-ethyl-N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-[(4-methylphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 159924313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).