N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide

C165H218N22O20S2 — CID 159841829

About N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide

N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide (PubChem CID 159841829) has the molecular formula C165H218N22O20S2 and a molecular weight of 2893.83 g/mol. Its IUPAC name is N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide
• PubChem CID: 159841829
• Molecular Formula: C165H218N22O20S2
• Molecular Weight: 2893.83 g/mol
• Exact Mass: 2891.62
• IUPAC Name: N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide
• SMILES: C=CCNS(=O)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.C=CCNS(=O)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.CONC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1
• InChI: InChI=1S/2C34H45N5O5S.C33H44N4O4.2C32H42N4O3/c2*1-4-16-36-45(43,44)29-7-5-6-26(20-29)33(41)37-31-21-25-9-8-23(22-38-17-14-27(15-18-38)34(2,3)42)19-30(25)39(31)28-12-10-24(11-13-28)32(35)40;1-22-5-8-24(9-6-22)31(38)34-30-20-26-10-7-23(21-36-17-15-27(16-18-36)33(2,3)40)19-29(26)37(30)28-13-11-25(12-14-28)32(39)35-41-4;1-21-4-7-24(8-5-21)31(38)34-29-19-25-9-6-22(20-35-16-14-26(15-17-35)32(2,3)39)18-28(25)36(29)27-12-10-23(11-13-27)30(33)37;1-21-5-4-6-25(17-21)31(38)34-29-19-24-8-7-22(20-35-15-13-26(14-16-35)32(2,3)39)18-28(24)36(29)27-11-9-23(10-12-27)30(33)37/h2*4-9,19-20,24,27-28,36,42H,1,10-18,21-22H2,2-3H3,(H2,35,40);5-10,19,25,27-28,40H,11-18,20-21H2,1-4H3,(H,35,39);4-9,18,23,26-27,39H,10-17,19-20H2,1-3H3,(H2,33,37);4-8,17-18,23,26-27,39H,9-16,19-20H2,1-3H3,(H2,33,37)/b2*37-31+;34-30+;2*34-29+
• InChIKey: NOTVXEYDFQEXRP-GYBMGBRGSA-N
• XLogP: 21.62
• TPSA: 583.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 39
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2893.83
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide (CID 159841829) is N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide.

What is the SMILES notation for N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The canonical SMILES for N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide is C=CCNS(=O)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.C=CCNS(=O)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.CONC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.

What is the InChIKey of N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The InChIKey is NOTVXEYDFQEXRP-GYBMGBRGSA-N. The full InChI is InChI=1S/2C34H45N5O5S.C33H44N4O4.2C32H42N4O3/c2*1-4-16-36-45(43,44)29-7-5-6-26(20-29)33(41)37-31-21-25-9-8-23(22-38-17-14-27(15-18-38)34(2,3)42)19-30(25)39(31)28-12-10-24(11-13-28)32(35)40;1-22-5-8-24(9-6-22)31(38)34-30-20-26-10-7-23(21-36-17-15-27(16-18-36)33(2,3)40)19-29(26)37(30)28-13-11-25(12-14-28)32(39)35-41-4;1-21-4-7-24(8-5-21)31(38)34-29-19-25-9-6-22(20-35-16-14-26(15-17-35)32(2,3)39)18-28(25)36(29)27-12-10-23(11-13-27)30(33)37;1-21-5-4-6-25(17-21)31(38)34-29-19-24-8-7-22(20-35-15-13-26(14-16-35)32(2,3)39)18-28(24)36(29)27-11-9-23(10-12-27)30(33)37/h2*4-9,19-20,24,27-28,36,42H,1,10-18,21-22H2,2-3H3,(H2,35,40);5-10,19,25,27-28,40H,11-18,20-21H2,1-4H3,(H,35,39);4-9,18,23,26-27,39H,10-17,19-20H2,1-3H3,(H2,33,37);4-8,17-18,23,26-27,39H,9-16,19-20H2,1-3H3,(H2,33,37)/b2*37-31+;34-30+;2*34-29+.

What are the key properties of N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide has a molecular weight of 2893.83 g/mol, XLogP of 21.62, 39 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-methylbenzamide;N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide);N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(methoxycarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide is sourced from PubChem (CID 159841829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).