1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide

C156H185F7N20O11 — CID 158688382

About 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide

1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide (PubChem CID 158688382) has the molecular formula C156H185F7N20O11 and a molecular weight of 2649.31 g/mol. Its IUPAC name is 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide.

Molecular Properties

• Compound Name: 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide
• PubChem CID: 158688382
• Molecular Formula: C156H185F7N20O11
• Molecular Weight: 2649.31 g/mol
• Exact Mass: 2647.44
• IUPAC Name: 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide
• SMILES: CCC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(C)c(F)c(F)c2)CC1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)CO)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(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ncccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccncc45)CC3)C(N)=O)CC2)cc1
• InChI: InChI=1S/C33H39F2N3O2.C32H37F2N3O3.C31H36F2N4O2.C30H36FN5O2.C30H37N5O2/c1-3-30(39)33(37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29)24-14-16-38(17-15-24)31(40)13-8-22-18-21(2)32(35)28(34)19-22;1-20-16-21(17-27(33)31(20)34)6-11-30(40)37-14-12-23(13-15-37)32(29(39)19-38)36-24-9-7-22(8-10-24)26-18-35-28-5-3-2-4-25(26)28;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;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(29(32)38)35-24-7-5-21(6-8-24)26-18-34-30-25(26)3-2-12-33-30;1-20-2-4-21(5-3-20)6-11-28(36)35-16-13-23(14-17-35)29(30(31)37)34-24-9-7-22(8-10-24)25-19-33-27-12-15-32-18-26(25)27/h4-8,13,18-20,23-25,33,36-37H,3,9-12,14-17H2,1-2H3;2-6,11,16-18,22-24,32,35-36,38H,7-10,12-15,19H2,1H3;2-6,11,16-18,21-23,30,35-36H,7-10,12-15H2,1H3,(H2,34,39);2-4,9,12,15-18,21-22,24,28,35H,5-8,10-11,13-14H2,1H3,(H2,32,38)(H,33,34);2-6,11-12,15,18-19,22-24,29,33-34H,7-10,13-14,16-17H2,1H3,(H2,31,37)/b13-8+;2*11-6+;9-4+;11-6+
• InChIKey: IGALBZXYLVABEQ-MPYWPMMUSA-N
• XLogP: 25.82
• TPSA: 450.07 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2649.31
LogP ≤ 5	25.82
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide?

The IUPAC name of 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide (CID 158688382) is 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide.

What is the SMILES notation for 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide?

The canonical SMILES for 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide is CCC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(C)c(F)c(F)c2)CC1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)CO)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(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ncccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccncc45)CC3)C(N)=O)CC2)cc1.

What is the InChIKey of 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide?

The InChIKey is IGALBZXYLVABEQ-MPYWPMMUSA-N. The full InChI is InChI=1S/C33H39F2N3O2.C32H37F2N3O3.C31H36F2N4O2.C30H36FN5O2.C30H37N5O2/c1-3-30(39)33(37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29)24-14-16-38(17-15-24)31(40)13-8-22-18-21(2)32(35)28(34)19-22;1-20-16-21(17-27(33)31(20)34)6-11-30(40)37-14-12-23(13-15-37)32(29(39)19-38)36-24-9-7-22(8-10-24)26-18-35-28-5-3-2-4-25(26)28;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;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(29(32)38)35-24-7-5-21(6-8-24)26-18-34-30-25(26)3-2-12-33-30;1-20-2-4-21(5-3-20)6-11-28(36)35-16-13-23(14-17-35)29(30(31)37)34-24-9-7-22(8-10-24)25-19-33-27-12-15-32-18-26(25)27/h4-8,13,18-20,23-25,33,36-37H,3,9-12,14-17H2,1-2H3;2-6,11,16-18,22-24,32,35-36,38H,7-10,12-15,19H2,1H3;2-6,11,16-18,21-23,30,35-36H,7-10,12-15H2,1H3,(H2,34,39);2-4,9,12,15-18,21-22,24,28,35H,5-8,10-11,13-14H2,1H3,(H2,32,38)(H,33,34);2-6,11-12,15,18-19,22-24,29,33-34H,7-10,13-14,16-17H2,1H3,(H2,31,37)/b13-8+;2*11-6+;9-4+;11-6+.

What are the key properties of 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide?

1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide has a molecular weight of 2649.31 g/mol, XLogP of 25.82, 37 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3-fluoro-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-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 158688382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).