bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride

C155H190Cl4F2N18O14 — CID 159453720

About bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride

bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 159453720) has the molecular formula C155H190Cl4F2N18O14 and a molecular weight of 2709.14 g/mol. Its IUPAC name is bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
• PubChem CID: 159453720
• Molecular Formula: C155H190Cl4F2N18O14
• Molecular Weight: 2709.14 g/mol
• Exact Mass: 2705.34
• IUPAC Name: bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
• SMILES: CC(F)(F)Oc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)cc1Cl.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)cc1Cl.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cl.Cl.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1
• InChI: InChI=1S/C33H40N4O3.C32H38F2N4O3.2C30H36ClN3O3.C30H38N4O2.2ClH/c34-33(39)32(36-26-11-9-23(10-12-26)28-21-35-29-6-2-1-5-27(28)29)24-15-17-37(18-16-24)31(38)14-8-22-7-13-30-25(20-22)4-3-19-40-30;1-32(33,34)41-25-13-6-21(7-14-25)8-15-29(39)38-18-16-23(17-19-38)30(31(35)40)37-24-11-9-22(10-12-24)27-20-36-28-5-3-2-4-26(27)28;2*1-19-6-7-20(16-26(19)31)17-28(35)34-14-12-22(13-15-34)29(30(36)37)33-23-10-8-21(9-11-23)25-18-32-27-5-3-2-4-24(25)27;1-20-6-8-21(9-7-20)18-28(35)34-16-14-23(15-17-34)29(30(31)36)33-24-12-10-22(11-13-24)26-19-32-27-5-3-2-4-25(26)27;;/h1-2,5-8,13-14,20-21,23-24,26,32,35-36H,3-4,9-12,15-19H2,(H2,34,39);2-8,13-15,20,22-24,30,36-37H,9-12,16-19H2,1H3,(H2,35,40);2*2-7,16,18,21-23,29,32-33H,8-15,17H2,1H3,(H,36,37);2-9,19,22-24,29,32-33H,10-18H2,1H3,(H2,31,36);2*1H/b14-8+;15-8+
• InChIKey: WXZFICIIKCPQJP-CCMFJFMJSA-N
• XLogP: 27.13
• TPSA: 462.98 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2709.14
LogP ≤ 5	27.13
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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?

The IUPAC name of bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride (CID 159453720) is bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride.

What is the SMILES notation for bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?

The canonical SMILES for bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride is CC(F)(F)Oc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)cc1Cl.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)cc1Cl.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cl.Cl.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1.

What is the InChIKey of bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?

The InChIKey is WXZFICIIKCPQJP-CCMFJFMJSA-N. The full InChI is InChI=1S/C33H40N4O3.C32H38F2N4O3.2C30H36ClN3O3.C30H38N4O2.2ClH/c34-33(39)32(36-26-11-9-23(10-12-26)28-21-35-29-6-2-1-5-27(28)29)24-15-17-37(18-16-24)31(38)14-8-22-7-13-30-25(20-22)4-3-19-40-30;1-32(33,34)41-25-13-6-21(7-14-25)8-15-29(39)38-18-16-23(17-19-38)30(31(35)40)37-24-11-9-22(10-12-24)27-20-36-28-5-3-2-4-26(27)28;2*1-19-6-7-20(16-26(19)31)17-28(35)34-14-12-22(13-15-34)29(30(36)37)33-23-10-8-21(9-11-23)25-18-32-27-5-3-2-4-24(25)27;1-20-6-8-21(9-7-20)18-28(35)34-16-14-23(15-17-34)29(30(31)36)33-24-12-10-22(11-13-24)26-19-32-27-5-3-2-4-25(26)27;;/h1-2,5-8,13-14,20-21,23-24,26,32,35-36H,3-4,9-12,15-19H2,(H2,34,39);2-8,13-15,20,22-24,30,36-37H,9-12,16-19H2,1H3,(H2,35,40);2*2-7,16,18,21-23,29,32-33H,8-15,17H2,1H3,(H,36,37);2-9,19,22-24,29,32-33H,10-18H2,1H3,(H2,31,36);2*1H/b14-8+;15-8+;;;;;.

What are the key properties of bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?

bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 2709.14 g/mol, XLogP of 27.13, 37 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-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-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 159453720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).