N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

C128H161F3N16O8 — CID 158948701

About N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (PubChem CID 158948701) has the molecular formula C128H161F3N16O8 and a molecular weight of 2108.79 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
• PubChem CID: 158948701
• Molecular Formula: C128H161F3N16O8
• Molecular Weight: 2108.79 g/mol
• Exact Mass: 2107.26
• IUPAC Name: N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
• SMILES: Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NC3CC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NCC(F)(F)F)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NCC3CC3)CC2)cc1
• InChI: InChI=1S/C33H42N4O2.C32H40N4O2.C32H42N4O2.C31H37F3N4O2/c1-23-5-10-27(11-6-23)33(39)35-31-20-28-12-9-25(22-36-17-3-2-4-18-36)19-30(28)37(31)29-15-13-26(14-16-29)32(38)34-21-24-7-8-24;1-22-5-8-24(9-6-22)32(38)34-30-20-26-10-7-23(21-35-17-3-2-4-18-35)19-29(26)36(30)28-15-11-25(12-16-28)31(37)33-27-13-14-27;1-22(2)33-31(37)26-13-15-28(16-14-26)36-29-19-24(21-35-17-5-4-6-18-35)9-12-27(29)20-30(36)34-32(38)25-10-7-23(3)8-11-25;1-21-5-8-24(9-6-21)30(40)36-28-18-25-10-7-22(19-37-15-3-2-4-16-37)17-27(25)38(28)26-13-11-23(12-14-26)29(39)35-20-31(32,33)34/h5-6,9-12,19,24,26,29H,2-4,7-8,13-18,20-22H2,1H3,(H,34,38);5-10,19,25,27-28H,2-4,11-18,20-21H2,1H3,(H,33,37);7-12,19,22,26,28H,4-6,13-18,20-21H2,1-3H3,(H,33,37);5-10,17,23,26H,2-4,11-16,18-20H2,1H3,(H,35,39)/b35-31+;2*34-30+;36-28+
• InChIKey: JLDNSYMIIJSTBP-UZHMDRALSA-N
• XLogP: 22.57
• TPSA: 260.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.79
LogP ≤ 5	22.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

The IUPAC name of N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (CID 158948701) is N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.

What is the SMILES notation for N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

The canonical SMILES for N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NC3CC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NCC(F)(F)F)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4)cc3N2C2CCC(C(=O)NCC3CC3)CC2)cc1.

What is the InChIKey of N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

The InChIKey is JLDNSYMIIJSTBP-UZHMDRALSA-N. The full InChI is InChI=1S/C33H42N4O2.C32H40N4O2.C32H42N4O2.C31H37F3N4O2/c1-23-5-10-27(11-6-23)33(39)35-31-20-28-12-9-25(22-36-17-3-2-4-18-36)19-30(28)37(31)29-15-13-26(14-16-29)32(38)34-21-24-7-8-24;1-22-5-8-24(9-6-22)32(38)34-30-20-26-10-7-23(21-35-17-3-2-4-18-35)19-29(26)36(30)28-15-11-25(12-16-28)31(37)33-27-13-14-27;1-22(2)33-31(37)26-13-15-28(16-14-26)36-29-19-24(21-35-17-5-4-6-18-35)9-12-27(29)20-30(36)34-32(38)25-10-7-23(3)8-11-25;1-21-5-8-24(9-6-21)30(40)36-28-18-25-10-7-22(19-37-15-3-2-4-16-37)17-27(25)38(28)26-13-11-23(12-14-26)29(39)35-20-31(32,33)34/h5-6,9-12,19,24,26,29H,2-4,7-8,13-18,20-22H2,1H3,(H,34,38);5-10,19,25,27-28H,2-4,11-18,20-21H2,1H3,(H,33,37);7-12,19,22,26,28H,4-6,13-18,20-21H2,1-3H3,(H,33,37);5-10,17,23,26H,2-4,11-16,18-20H2,1H3,(H,35,39)/b35-31+;2*34-30+;36-28+.

What are the key properties of N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide has a molecular weight of 2108.79 g/mol, XLogP of 22.57, 25 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(cyclopropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is sourced from PubChem (CID 158948701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).