N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide

C108H147FN12O10 — CID 157396294

About N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide

N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide (PubChem CID 157396294) has the molecular formula C108H147FN12O10 and a molecular weight of 1792.44 g/mol. Its IUPAC name is N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide
• PubChem CID: 157396294
• Molecular Formula: C108H147FN12O10
• Molecular Weight: 1792.44 g/mol
• Exact Mass: 1791.13
• IUPAC Name: N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide
• SMILES: CC(C)(CO)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(F)cc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCCCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)(C)C)CC2)cc1
• InChI: InChI=1S/C37H50N4O3.C36H50N4O3.C35H47FN4O4/c1-26-7-10-28(11-8-26)35(42)38-34-24-30-12-9-27(25-39-21-17-31(18-22-39)37(2,3)44)23-33(30)41(34)32-15-13-29(14-16-32)36(43)40-19-5-4-6-20-40;1-24-7-10-26(11-8-24)33(41)37-32-22-28-12-9-25(23-39-19-17-29(18-20-39)36(5,6)43)21-31(28)40(32)30-15-13-27(14-16-30)34(42)38-35(2,3)4;1-34(2,22-41)38-33(43)25-9-13-29(14-10-25)40-30-19-23(21-39-17-15-27(16-18-39)35(3,4)44)5-6-26(30)20-31(40)37-32(42)24-7-11-28(36)12-8-24/h7-12,23,29,31-32,44H,4-6,13-22,24-25H2,1-3H3;7-12,21,27,29-30,43H,13-20,22-23H2,1-6H3,(H,38,42);5-8,11-12,19,25,27,29,41,44H,9-10,13-18,20-22H2,1-4H3,(H,38,43)/b38-34+;37-32+;37-31+
• InChIKey: BMPLGORVNPGCET-APLXZJFQSA-N
• XLogP: 17.06
• TPSA: 267.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.44
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The IUPAC name of N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide (CID 157396294) is N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide.

What is the SMILES notation for N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The canonical SMILES for N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide is CC(C)(CO)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(F)cc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCCCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)(C)C)CC2)cc1.

What is the InChIKey of N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The InChIKey is BMPLGORVNPGCET-APLXZJFQSA-N. The full InChI is InChI=1S/C37H50N4O3.C36H50N4O3.C35H47FN4O4/c1-26-7-10-28(11-8-26)35(42)38-34-24-30-12-9-27(25-39-21-17-31(18-22-39)37(2,3)44)23-33(30)41(34)32-15-13-29(14-16-32)36(43)40-19-5-4-6-20-40;1-24-7-10-26(11-8-24)33(41)37-32-22-28-12-9-25(23-39-19-17-29(18-20-39)36(5,6)43)21-31(28)40(32)30-15-13-27(14-16-30)34(42)38-35(2,3)4;1-34(2,22-41)38-33(43)25-9-13-29(14-10-25)40-30-19-23(21-39-17-15-27(16-18-39)35(3,4)44)5-6-26(30)20-31(40)37-32(42)24-7-11-28(36)12-8-24/h7-12,23,29,31-32,44H,4-6,13-22,24-25H2,1-3H3;7-12,21,27,29-30,43H,13-20,22-23H2,1-6H3,(H,38,42);5-8,11-12,19,25,27,29,41,44H,9-10,13-18,20-22H2,1-4H3,(H,38,43)/b38-34+;37-32+;37-31+.

What are the key properties of N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide has a molecular weight of 1792.44 g/mol, XLogP of 17.06, 20 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide is sourced from PubChem (CID 157396294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).