bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide

C156H189F5N20O11S — CID 157092679

About bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide

bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 157092679) has the molecular formula C156H189F5N20O11S and a molecular weight of 2647.41 g/mol. Its IUPAC name is bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide
• PubChem CID: 157092679
• Molecular Formula: C156H189F5N20O11S
• Molecular Weight: 2647.41 g/mol
• Exact Mass: 2645.45
• IUPAC Name: bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide
• SMILES: CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1.CSc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(F)cc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1
• InChI: InChI=1S/C34H42N4O3.2C31H36F2N4O2.C30H37FN4O2.C30H38N4O2S/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29;2*1-19-16-20(17-26(32)29(19)33)6-11-28(38)37-14-12-22(13-15-37)30(31(34)39)36-23-9-7-21(8-10-23)25-18-35-27-5-3-2-4-24(25)27;1-19-14-20(16-23(31)15-19)17-28(36)35-12-10-22(11-13-35)29(30(32)37)34-24-8-6-21(7-9-24)26-18-33-27-5-3-2-4-25(26)27;1-37-24-6-4-5-20(17-24)18-28(35)34-15-13-22(14-16-34)29(30(31)36)33-23-11-9-21(10-12-23)26-19-32-27-8-3-2-7-25(26)27/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40);2*2-6,11,16-18,21-23,30,35-36H,7-10,12-15H2,1H3,(H2,34,39);2-5,14-16,18,21-22,24,29,33-34H,6-13,17H2,1H3,(H2,32,37);2-8,17,19,21-23,29,32-33H,9-16,18H2,1H3,(H2,31,36)/b14-8+;2*11-6+
• InChIKey: AEVPIWVHMIYJTJ-LTQUJSGASA-N
• XLogP: 25.06
• TPSA: 465.33 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 17
• Rotatable Bonds: 36
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2647.41
LogP ≤ 5	25.06
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide?

The IUPAC name of bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide (CID 157092679) is bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide.

What is the SMILES notation for bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide?

The canonical SMILES for bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide is CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1.CSc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(F)cc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.

What is the InChIKey of bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide?

The InChIKey is AEVPIWVHMIYJTJ-LTQUJSGASA-N. The full InChI is InChI=1S/C34H42N4O3.2C31H36F2N4O2.C30H37FN4O2.C30H38N4O2S/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29;2*1-19-16-20(17-26(32)29(19)33)6-11-28(38)37-14-12-22(13-15-37)30(31(34)39)36-23-9-7-21(8-10-23)25-18-35-27-5-3-2-4-24(25)27;1-19-14-20(16-23(31)15-19)17-28(36)35-12-10-22(11-13-35)29(30(32)37)34-24-8-6-21(7-9-24)26-18-33-27-5-3-2-4-25(26)27;1-37-24-6-4-5-20(17-24)18-28(35)34-15-13-22(14-16-34)29(30(31)36)33-23-11-9-21(10-12-23)26-19-32-27-8-3-2-7-25(26)27/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40);2*2-6,11,16-18,21-23,30,35-36H,7-10,12-15H2,1H3,(H2,34,39);2-5,14-16,18,21-22,24,29,33-34H,6-13,17H2,1H3,(H2,32,37);2-8,17,19,21-23,29,32-33H,9-16,18H2,1H3,(H2,31,36)/b14-8+;2*11-6+;;.

What are the key properties of bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide?

bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 2647.41 g/mol, XLogP of 25.06, 36 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide);2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 157092679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).