N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid

C131H171N17O14S — CID 159957238

About N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid

N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid (PubChem CID 159957238) has the molecular formula C131H171N17O14S and a molecular weight of 2239.98 g/mol. Its IUPAC name is N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

• Compound Name: N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid
• PubChem CID: 159957238
• Molecular Formula: C131H171N17O14S
• Molecular Weight: 2239.98 g/mol
• Exact Mass: 2238.29
• IUPAC Name: N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid
• SMILES: Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CC(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CN)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4C(=O)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCS(=O)(=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C34H44N4O4.C33H45N5O2.C33H42N4O4.C31H40N4O4S/c1-22(2)35-33(41)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(15-17-37)19-32(39)40)6-9-28(30)20-31(38)36-34(42)26-7-4-23(3)5-8-26;1-22(2)35-32(39)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(20-34)15-17-37)6-9-28(30)19-31(38)36-33(40)26-7-4-23(3)5-8-26;1-21(2)34-31(38)25-13-15-27(16-14-25)37-29-18-23(20-36-17-5-4-6-28(36)33(40)41)9-12-26(29)19-30(37)35-32(39)24-10-7-22(3)8-11-24;1-21(2)32-30(36)25-10-12-27(13-11-25)35-28-18-23(20-34-14-16-40(38,39)17-15-34)6-9-26(28)19-29(35)33-31(37)24-7-4-22(3)5-8-24/h4-9,18,22,24,27,29H,10-17,19-21H2,1-3H3,(H,35,41)(H,39,40);4-9,18,22,24,27,29H,10-17,19-21,34H2,1-3H3,(H,35,39);7-12,18,21,25,27-28H,4-6,13-17,19-20H2,1-3H3,(H,34,38)(H,40,41);4-9,18,21,25,27H,10-17,19-20H2,1-3H3,(H,32,36)/b2*36-31+;35-30+;33-29+
• InChIKey: OCWHCSLCTNHQCF-HFNWUYSOSA-N
• XLogP: 19.25
• TPSA: 394.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.98
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?

The IUPAC name of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid (CID 159957238) is N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid.

What is the SMILES notation for N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?

The canonical SMILES for N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid is Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CC(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CN)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4C(=O)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCS(=O)(=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.

What is the InChIKey of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?

The InChIKey is OCWHCSLCTNHQCF-HFNWUYSOSA-N. The full InChI is InChI=1S/C34H44N4O4.C33H45N5O2.C33H42N4O4.C31H40N4O4S/c1-22(2)35-33(41)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(15-17-37)19-32(39)40)6-9-28(30)20-31(38)36-34(42)26-7-4-23(3)5-8-26;1-22(2)35-32(39)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(20-34)15-17-37)6-9-28(30)19-31(38)36-33(40)26-7-4-23(3)5-8-26;1-21(2)34-31(38)25-13-15-27(16-14-25)37-29-18-23(20-36-17-5-4-6-28(36)33(40)41)9-12-26(29)19-30(37)35-32(39)24-10-7-22(3)8-11-24;1-21(2)32-30(36)25-10-12-27(13-11-25)35-28-18-23(20-34-14-16-40(38,39)17-15-34)6-9-26(28)19-29(35)33-31(37)24-7-4-22(3)5-8-24/h4-9,18,22,24,27,29H,10-17,19-21H2,1-3H3,(H,35,41)(H,39,40);4-9,18,22,24,27,29H,10-17,19-21,34H2,1-3H3,(H,35,39);7-12,18,21,25,27-28H,4-6,13-17,19-20H2,1-3H3,(H,34,38)(H,40,41);4-9,18,21,25,27H,10-17,19-20H2,1-3H3,(H,32,36)/b2*36-31+;35-30+;33-29+.

What are the key properties of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?

N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 2239.98 g/mol, XLogP of 19.25, 28 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 159957238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).