2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide

C153H185ClF4N20O10 — CID 159547586

About 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide

2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide (PubChem CID 159547586) has the molecular formula C153H185ClF4N20O10 and a molecular weight of 2575.74 g/mol. Its IUPAC name is 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
• PubChem CID: 159547586
• Molecular Formula: C153H185ClF4N20O10
• Molecular Weight: 2575.74 g/mol
• Exact Mass: 2573.42
• IUPAC Name: 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
• SMILES: CC(F)(F)c1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)ccc1F.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1Cl.Cc1cccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1
• InChI: InChI=1S/C31H38F2N4O2.C31H37FN4O2.C31H38N4O2.C30H37ClN4O2.C30H35FN4O2/c1-31(32,33)23-10-6-20(7-11-23)18-28(38)37-16-14-22(15-17-37)29(30(34)39)36-24-12-8-21(9-13-24)26-19-35-27-5-3-2-4-25(26)27;1-20-18-21(6-12-27(20)32)7-13-29(37)36-16-14-23(15-17-36)30(31(33)38)35-24-10-8-22(9-11-24)26-19-34-28-5-3-2-4-25(26)28;1-21-5-4-6-22(19-21)9-14-29(36)35-17-15-24(16-18-35)30(31(32)37)34-25-12-10-23(11-13-25)27-20-33-28-8-3-2-7-26(27)28;1-19-6-7-20(16-26(19)31)17-28(36)35-14-12-22(13-15-35)29(30(32)37)34-23-10-8-21(9-11-23)25-18-33-27-5-3-2-4-24(25)27;31-26-7-3-1-5-21(26)11-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-23-12-9-20(10-13-23)25-19-33-27-8-4-2-6-24(25)27/h2-7,10-11,19,21-22,24,29,35-36H,8-9,12-18H2,1H3,(H2,34,39);2-7,12-13,18-19,22-24,30,34-35H,8-11,14-17H2,1H3,(H2,33,38);2-9,14,19-20,23-25,30,33-34H,10-13,15-18H2,1H3,(H2,32,37);2-7,16,18,21-23,29,33-34H,8-15,17H2,1H3,(H2,32,37);1-8,11,14,19-20,22-23,29,33-34H,9-10,12-13,15-18H2,(H2,32,37)/b;13-7+;14-9+;;14-11+
• InChIKey: MEZKCKGAVWRSQJ-AFEQWGGESA-N
• XLogP: 24.98
• TPSA: 456.10 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2575.74
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide (CID 159547586) is 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide is CC(F)(F)c1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)ccc1F.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1Cl.Cc1cccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1.

What is the InChIKey of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?

The InChIKey is MEZKCKGAVWRSQJ-AFEQWGGESA-N. The full InChI is InChI=1S/C31H38F2N4O2.C31H37FN4O2.C31H38N4O2.C30H37ClN4O2.C30H35FN4O2/c1-31(32,33)23-10-6-20(7-11-23)18-28(38)37-16-14-22(15-17-37)29(30(34)39)36-24-12-8-21(9-13-24)26-19-35-27-5-3-2-4-25(26)27;1-20-18-21(6-12-27(20)32)7-13-29(37)36-16-14-23(15-17-36)30(31(33)38)35-24-10-8-22(9-11-24)26-19-34-28-5-3-2-4-25(26)28;1-21-5-4-6-22(19-21)9-14-29(36)35-17-15-24(16-18-35)30(31(32)37)34-25-12-10-23(11-13-25)27-20-33-28-8-3-2-7-26(27)28;1-19-6-7-20(16-26(19)31)17-28(36)35-14-12-22(13-15-35)29(30(32)37)34-23-10-8-21(9-11-23)25-18-33-27-5-3-2-4-24(25)27;31-26-7-3-1-5-21(26)11-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-23-12-9-20(10-13-23)25-19-33-27-8-4-2-6-24(25)27/h2-7,10-11,19,21-22,24,29,35-36H,8-9,12-18H2,1H3,(H2,34,39);2-7,12-13,18-19,22-24,30,34-35H,8-11,14-17H2,1H3,(H2,33,38);2-9,14,19-20,23-25,30,33-34H,10-13,15-18H2,1H3,(H2,32,37);2-7,16,18,21-23,29,33-34H,8-15,17H2,1H3,(H2,32,37);1-8,11,14,19-20,22-23,29,33-34H,9-10,12-13,15-18H2,(H2,32,37)/b;13-7+;14-9+;;14-11+.

What are the key properties of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?

2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide has a molecular weight of 2575.74 g/mol, XLogP of 24.98, 36 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)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-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 159547586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).