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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride

C150H178ClF7N24O10 — CID 160939782

About 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride

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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride (PubChem CID 160939782) has the molecular formula C150H178ClF7N24O10 and a molecular weight of 2645.67 g/mol. Its IUPAC name is 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride
• PubChem CID: 160939782
• Molecular Formula: C150H178ClF7N24O10
• Molecular Weight: 2645.67 g/mol
• Exact Mass: 2643.37
• IUPAC Name: 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride
• SMILES: 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]c5cccnc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ncccc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1.Cl.NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C31H36F2N4O2.2C30H35F2N5O2.C30H36FN5O2.C29H35N5O2.ClH/c1-19-16-20(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;1-18-15-19(16-24(31)27(18)32)4-9-26(38)37-13-10-21(11-14-37)28(30(33)39)36-22-7-5-20(6-8-22)23-17-35-25-3-2-12-34-29(23)25;1-18-15-19(16-25(31)27(18)32)4-9-26(38)37-13-10-21(11-14-37)28(29(33)39)36-22-7-5-20(6-8-22)24-17-35-30-23(24)3-2-12-34-30;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(30(32)38)35-24-7-5-21(6-8-24)25-18-34-26-3-2-12-33-29(25)26;30-29(36)27(22-14-17-34(18-15-22)26(35)13-8-20-5-2-1-3-6-20)33-23-11-9-21(10-12-23)24-19-32-25-7-4-16-31-28(24)25;/h2-6,11,16-18,21-23,30,35-36H,7-10,12-15H2,1H3,(H2,34,39);2-4,9,12,15-17,20-22,28,35-36H,5-8,10-11,13-14H2,1H3,(H2,33,39);2-4,9,12,15-17,20-22,28,36H,5-8,10-11,13-14H2,1H3,(H2,33,39)(H,34,35);2-4,9,12,15-18,21-22,24,28,34-35H,5-8,10-11,13-14H2,1H3,(H2,32,38);1-8,13,16,19,21-23,27,32-33H,9-12,14-15,17-18H2,(H2,30,36);1H/b11-6+;3*9-4+;13-8+
• InChIKey: WPKDBXBQEQEFIN-GNKAUKCMSA-N
• XLogP: 23.16
• TPSA: 507.66 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2645.67
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride?

The IUPAC name of 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride (CID 160939782) is 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride.

What is the SMILES notation for 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride?

The canonical SMILES for 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride is 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]c5cccnc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ncccc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1.Cl.NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.

What is the InChIKey of 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride?

The InChIKey is WPKDBXBQEQEFIN-GNKAUKCMSA-N. The full InChI is InChI=1S/C31H36F2N4O2.2C30H35F2N5O2.C30H36FN5O2.C29H35N5O2.ClH/c1-19-16-20(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;1-18-15-19(16-24(31)27(18)32)4-9-26(38)37-13-10-21(11-14-37)28(30(33)39)36-22-7-5-20(6-8-22)23-17-35-25-3-2-12-34-29(23)25;1-18-15-19(16-25(31)27(18)32)4-9-26(38)37-13-10-21(11-14-37)28(29(33)39)36-22-7-5-20(6-8-22)24-17-35-30-23(24)3-2-12-34-30;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(30(32)38)35-24-7-5-21(6-8-24)25-18-34-26-3-2-12-33-29(25)26;30-29(36)27(22-14-17-34(18-15-22)26(35)13-8-20-5-2-1-3-6-20)33-23-11-9-21(10-12-23)24-19-32-25-7-4-16-31-28(24)25;/h2-6,11,16-18,21-23,30,35-36H,7-10,12-15H2,1H3,(H2,34,39);2-4,9,12,15-17,20-22,28,35-36H,5-8,10-11,13-14H2,1H3,(H2,33,39);2-4,9,12,15-17,20-22,28,36H,5-8,10-11,13-14H2,1H3,(H2,33,39)(H,34,35);2-4,9,12,15-18,21-22,24,28,34-35H,5-8,10-11,13-14H2,1H3,(H2,32,38);1-8,13,16,19,21-23,27,32-33H,9-12,14-15,17-18H2,(H2,30,36);1H/b11-6+;3*9-4+;13-8+;.

What are the key properties of 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride?

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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride has a molecular weight of 2645.67 g/mol, XLogP of 23.16, 35 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;hydrochloride is sourced from PubChem (CID 160939782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).