2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride

C152H185Cl2F5N18O12S — CID 158876771

IUPAC2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCSc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)cc(F)c1F.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)c1.Cc1cc(F)cc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1F.Cl.Cl
InChIInChI=1S/C31H35F2N3O3.C31H36FN3O3.2C30H37FN4O2.C30H38N4O2S.2ClH/c1-19-16-20(17-26(32)29(19)33)6-11-28(37)36-14-12-22(13-15-36)30(31(38)39)35-23-9-7-21(8-10-23)25-18-34-27-5-3-2-4-24(25)27;1-20-16-21(18-24(32)17-20)6-11-29(36)35-14-12-23(13-15-35)30(31(37)38)34-25-9-7-22(8-10-25)27-19-33-28-5-3-2-4-26(27)28;1-19-14-20(16-23(31)15-19)17-28(36)35-12-10-22(11-13-35)29(30(32)37)34-24-8-6-21(7-9-24)26-18-33-27-5-3-2-4-25(26)27;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;1-37-24-6-4-5-20(17-24)18-28(35)34-15-13-22(14-16-34)29(30(31)36)33-23-11-9-21(10-12-23)26-19-32-27-8-3-2-7-25(26)27;;/h2-6,11,16-18,21-23,30,34-35H,7-10,12-15H2,1H3,(H,38,39);2-6,11,16-19,22-23,25,30,33-34H,7-10,12-15H2,1H3,(H,37,38);2-5,14-16,18,21-22,24,29,33-34H,6-13,17H2,1H3,(H2,32,37);2-7,16,18,21-23,29,33-34H,8-15,17H2,1H3,(H2,32,37);2-8,17,19,21-23,29,32-33H,9-16,18H2,1H3,(H2,31,36);2*1H/b2*11-6+;;;;;
InChIKeyPELKLSFEQDMOPJ-UFNRKGTPSA-N
MW2654.23 g/mol
LogP26.23
Rot. Bonds36

About 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride

2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 158876771) has the molecular formula C152H185Cl2F5N18O12S and a molecular weight of 2654.23 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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
PubChem CID158876771
Molecular FormulaC152H185Cl2F5N18O12S
Molecular Weight2654.23 g/mol
Exact Mass2651.34
IUPAC Name2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCSc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)cc(F)c1F.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)c1.Cc1cc(F)cc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1F.Cl.Cl
InChIInChI=1S/C31H35F2N3O3.C31H36FN3O3.2C30H37FN4O2.C30H38N4O2S.2ClH/c1-19-16-20(17-26(32)29(19)33)6-11-28(37)36-14-12-22(13-15-36)30(31(38)39)35-23-9-7-21(8-10-23)25-18-34-27-5-3-2-4-24(25)27;1-20-16-21(18-24(32)17-20)6-11-29(36)35-14-12-23(13-15-35)30(31(37)38)34-25-9-7-22(8-10-25)27-19-33-28-5-3-2-4-26(27)28;1-19-14-20(16-23(31)15-19)17-28(36)35-12-10-22(11-13-35)29(30(32)37)34-24-8-6-21(7-9-24)26-18-33-27-5-3-2-4-25(26)27;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;1-37-24-6-4-5-20(17-24)18-28(35)34-15-13-22(14-16-34)29(30(31)36)33-23-11-9-21(10-12-23)26-19-32-27-8-3-2-7-25(26)27;;/h2-6,11,16-18,21-23,30,34-35H,7-10,12-15H2,1H3,(H,38,39);2-6,11,16-19,22-23,25,30,33-34H,7-10,12-15H2,1H3,(H,37,38);2-5,14-16,18,21-22,24,29,33-34H,6-13,17H2,1H3,(H2,32,37);2-7,16,18,21-23,29,33-34H,8-15,17H2,1H3,(H2,32,37);2-8,17,19,21-23,29,32-33H,9-16,18H2,1H3,(H2,31,36);2*1H/b2*11-6+;;;;;
InChIKeyPELKLSFEQDMOPJ-UFNRKGTPSA-N
XLogP26.23
TPSA444.52 Ų
H-Bond Donors15
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002654.23
LogP ≤ 526.23
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride with MolForge

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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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?
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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride (CID 158876771) is 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride.
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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?
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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride is CSc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)cc(F)c1F.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)O)CC2)c1.Cc1cc(F)cc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1F.Cl.Cl.
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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?
The InChIKey is PELKLSFEQDMOPJ-UFNRKGTPSA-N. The full InChI is InChI=1S/C31H35F2N3O3.C31H36FN3O3.2C30H37FN4O2.C30H38N4O2S.2ClH/c1-19-16-20(17-26(32)29(19)33)6-11-28(37)36-14-12-22(13-15-36)30(31(38)39)35-23-9-7-21(8-10-23)25-18-34-27-5-3-2-4-24(25)27;1-20-16-21(18-24(32)17-20)6-11-29(36)35-14-12-23(13-15-35)30(31(37)38)34-25-9-7-22(8-10-25)27-19-33-28-5-3-2-4-26(27)28;1-19-14-20(16-23(31)15-19)17-28(36)35-12-10-22(11-13-35)29(30(32)37)34-24-8-6-21(7-9-24)26-18-33-27-5-3-2-4-25(26)27;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;1-37-24-6-4-5-20(17-24)18-28(35)34-15-13-22(14-16-34)29(30(31)36)33-23-11-9-21(10-12-23)26-19-32-27-8-3-2-7-25(26)27;;/h2-6,11,16-18,21-23,30,34-35H,7-10,12-15H2,1H3,(H,38,39);2-6,11,16-19,22-23,25,30,33-34H,7-10,12-15H2,1H3,(H,37,38);2-5,14-16,18,21-22,24,29,33-34H,6-13,17H2,1H3,(H2,32,37);2-7,16,18,21-23,29,33-34H,8-15,17H2,1H3,(H2,32,37);2-8,17,19,21-23,29,32-33H,9-16,18H2,1H3,(H2,31,36);2*1H/b2*11-6+;;;;;.
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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride?
2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 2654.23 g/mol, XLogP of 26.23, 36 rotatable bonds, 15 hydrogen bond donors, and 16 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]acetic acid;2-[1-[2-(3-fluoro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-fluoro-5-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylsulfanylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 158876771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).