bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride

C156H192Cl5N19O14 — CID 158219280

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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride (PubChem CID 158219280) has the molecular formula C156H192Cl5N19O14 and a molecular weight of 2734.64 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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride
• PubChem CID: 158219280
• Molecular Formula: C156H192Cl5N19O14
• Molecular Weight: 2734.64 g/mol
• Exact Mass: 2730.33
• 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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride
• SMILES: CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1.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]c5ccncc45)CC3)C(N)=O)CC2)cc1Cl.Cl.Cl.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1
• InChI: InChI=1S/C34H42N4O3.C33H40N4O3.2C30H36ClN3O3.C29H36ClN5O2.2ClH/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29;34-33(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;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;1-18-2-3-19(14-25(18)30)15-27(36)35-12-9-21(10-13-35)28(29(31)37)34-22-6-4-20(5-7-22)23-17-33-26-8-11-32-16-24(23)26;;/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40);1-2,5-8,13-14,20-21,23-24,26,32,35-36H,3-4,9-12,15-19H2,(H2,34,39);2*2-7,16,18,21-23,29,32-33H,8-15,17H2,1H3,(H,36,37);2-3,8,11,14,16-17,20-22,28,33-34H,4-7,9-10,12-13,15H2,1H3,(H2,31,37);2*1H/b2*14-8+
• InChIKey: PGOGZGHVXRKMTE-DBRWNMMVSA-N
• XLogP: 26.90
• TPSA: 475.87 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.64
LogP ≤ 5	26.90
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 bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride (CID 158219280) 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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride is CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1.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]c5ccncc45)CC3)C(N)=O)CC2)cc1Cl.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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride?

The InChIKey is PGOGZGHVXRKMTE-DBRWNMMVSA-N. The full InChI is InChI=1S/C34H42N4O3.C33H40N4O3.2C30H36ClN3O3.C29H36ClN5O2.2ClH/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29;34-33(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;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;1-18-2-3-19(14-25(18)30)15-27(36)35-12-9-21(10-13-35)28(29(31)37)34-22-6-4-20(5-7-22)23-17-33-26-8-11-32-16-24(23)26;;/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40);1-2,5-8,13-14,20-21,23-24,26,32,35-36H,3-4,9-12,15-19H2,(H2,34,39);2*2-7,16,18,21-23,29,32-33H,8-15,17H2,1H3,(H,36,37);2-3,8,11,14,16-17,20-22,28,33-34H,4-7,9-10,12-13,15H2,1H3,(H2,31,37);2*1H/b2*14-8+;;;;;.

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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride has a molecular weight of 2734.64 g/mol, XLogP of 26.90, 35 rotatable bonds, 15 hydrogen bond donors, and 18 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-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-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-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;dihydrochloride is sourced from PubChem (CID 158219280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).