2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide

C157H189F3N20O13 — CID 160755416

About 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide

2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide (PubChem CID 160755416) has the molecular formula C157H189F3N20O13 and a molecular weight of 2621.36 g/mol. Its IUPAC name is 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
• PubChem CID: 160755416
• Molecular Formula: C157H189F3N20O13
• Molecular Weight: 2621.36 g/mol
• Exact Mass: 2619.47
• IUPAC Name: 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
• SMILES: CC(F)(F)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.CC1(F)Oc2ccc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)cc2O1.COc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C33H40N4O2.C32H38F2N4O2.C32H37FN4O4.C30H38N4O3.C30H36N4O2/c34-33(39)32(36-27-13-11-24(12-14-27)29-21-35-30-7-2-1-6-28(29)30)25-16-18-37(19-17-25)31(38)15-9-22-8-10-23-4-3-5-26(23)20-22;1-32(33,34)24-11-6-21(7-12-24)8-15-29(39)38-18-16-23(17-19-38)30(31(35)40)37-25-13-9-22(10-14-25)27-20-36-28-5-3-2-4-26(27)28;1-32(33)40-27-12-6-20(18-28(27)41-32)7-13-29(38)37-16-14-22(15-17-37)30(31(34)39)36-23-10-8-21(9-11-23)25-19-35-26-5-3-2-4-24(25)26;1-37-24-12-6-20(7-13-24)18-28(35)34-16-14-22(15-17-34)29(30(31)36)33-23-10-8-21(9-11-23)26-19-32-27-5-3-2-4-25(26)27;31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h1-2,6-10,15,20-21,24-25,27,32,35-36H,3-5,11-14,16-19H2,(H2,34,39);2-8,11-12,15,20,22-23,25,30,36-37H,9-10,13-14,16-19H2,1H3,(H2,35,40);2-7,12-13,18-19,21-23,30,35-36H,8-11,14-17H2,1H3,(H2,34,39);2-7,12-13,19,21-23,29,32-33H,8-11,14-18H2,1H3,(H2,31,36);1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b15-9+;15-8+;13-7+;;15-10+
• InChIKey: RXJBMEFPVZZKPN-JCDNEMIQSA-N
• XLogP: 24.50
• TPSA: 483.79 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.36
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	15
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 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide (CID 160755416) is 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide is CC(F)(F)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.CC1(F)Oc2ccc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)cc2O1.COc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.

What is the InChIKey of 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide?

The InChIKey is RXJBMEFPVZZKPN-JCDNEMIQSA-N. The full InChI is InChI=1S/C33H40N4O2.C32H38F2N4O2.C32H37FN4O4.C30H38N4O3.C30H36N4O2/c34-33(39)32(36-27-13-11-24(12-14-27)29-21-35-30-7-2-1-6-28(29)30)25-16-18-37(19-17-25)31(38)15-9-22-8-10-23-4-3-5-26(23)20-22;1-32(33,34)24-11-6-21(7-12-24)8-15-29(39)38-18-16-23(17-19-38)30(31(35)40)37-25-13-9-22(10-14-25)27-20-36-28-5-3-2-4-26(27)28;1-32(33)40-27-12-6-20(18-28(27)41-32)7-13-29(38)37-16-14-22(15-17-37)30(31(34)39)36-23-10-8-21(9-11-23)25-19-35-26-5-3-2-4-24(25)26;1-37-24-12-6-20(7-13-24)18-28(35)34-16-14-22(15-17-34)29(30(31)36)33-23-10-8-21(9-11-23)26-19-32-27-5-3-2-4-25(26)27;31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h1-2,6-10,15,20-21,24-25,27,32,35-36H,3-5,11-14,16-19H2,(H2,34,39);2-8,11-12,15,20,22-23,25,30,36-37H,9-10,13-14,16-19H2,1H3,(H2,35,40);2-7,12-13,18-19,21-23,30,35-36H,8-11,14-17H2,1H3,(H2,34,39);2-7,12-13,19,21-23,29,32-33H,8-11,14-18H2,1H3,(H2,31,36);1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b15-9+;15-8+;13-7+;;15-10+.

What are the key properties of 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide?

2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide has a molecular weight of 2621.36 g/mol, XLogP of 24.50, 37 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 160755416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).