2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone

C106H107Cl6N11O9 — CID 161459424

About 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone

2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone (PubChem CID 161459424) has the molecular formula C106H107Cl6N11O9 and a molecular weight of 1891.81 g/mol. Its IUPAC name is 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone
• PubChem CID: 161459424
• Molecular Formula: C106H107Cl6N11O9
• Molecular Weight: 1891.81 g/mol
• Exact Mass: 1887.64
• IUPAC Name: 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone
• SMILES: C#Cc1cc(C)c2cc(Cc3c(C)ccc(C(=O)N4CCOCC4)c3C)n(C)c2c1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1C.CC(=O)COC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1
• InChI: InChI=1S/C27H27Cl2N3O3.C27H27Cl2N3O2.C26H25Cl2N3O2.C26H28N2O2/c1-16-10-18(14-30)11-25-22(16)12-19(31(25)3)13-23-24(28)5-4-21(26(23)29)27(34)32-8-6-20(7-9-32)35-15-17(2)33;1-15-9-18(13-30)10-25-22(15)11-19(31(25)4)12-23-24(28)6-5-21(26(23)29)27(34)32-8-7-20(17(3)33)16(2)14-32;1-15-10-17(14-29)11-24-21(15)12-19(30(24)3)13-22-23(27)5-4-20(25(22)28)26(33)31-8-6-18(7-9-31)16(2)32;1-6-20-13-18(3)24-16-21(27(5)25(24)14-20)15-23-17(2)7-8-22(19(23)4)26(29)28-9-11-30-12-10-28/h4-5,10-12,20H,6-9,13,15H2,1-3H3;5-6,9-11,16,20H,7-8,12,14H2,1-4H3;4-5,10-12,18H,6-9,13H2,1-3H3;1,7-8,13-14,16H,9-12,15H2,2-5H3
• InChIKey: WBPFMAMBBFFDIA-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 242.00 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.81
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

The IUPAC name of 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone (CID 161459424) is 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

The canonical SMILES for 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone is C#Cc1cc(C)c2cc(Cc3c(C)ccc(C(=O)N4CCOCC4)c3C)n(C)c2c1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1C.CC(=O)COC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.

What is the InChIKey of 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

The InChIKey is WBPFMAMBBFFDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N3O3.C27H27Cl2N3O2.C26H25Cl2N3O2.C26H28N2O2/c1-16-10-18(14-30)11-25-22(16)12-19(31(25)3)13-23-24(28)5-4-21(26(23)29)27(34)32-8-6-20(7-9-32)35-15-17(2)33;1-15-9-18(13-30)10-25-22(15)11-19(31(25)4)12-23-24(28)6-5-21(26(23)29)27(34)32-8-7-20(17(3)33)16(2)14-32;1-15-10-17(14-29)11-24-21(15)12-19(30(24)3)13-22-23(27)5-4-20(25(22)28)26(33)31-8-6-18(7-9-31)16(2)32;1-6-20-13-18(3)24-16-21(27(5)25(24)14-20)15-23-17(2)7-8-22(19(23)4)26(29)28-9-11-30-12-10-28/h4-5,10-12,20H,6-9,13,15H2,1-3H3;5-6,9-11,16,20H,7-8,12,14H2,1-4H3;4-5,10-12,18H,6-9,13H2,1-3H3;1,7-8,13-14,16H,9-12,15H2,2-5H3.

What are the key properties of 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone has a molecular weight of 1891.81 g/mol, XLogP of 21.25, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(4-acetyl-3-methylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[3-(4-acetylpiperidine-1-carbonyl)-2,6-dichlorophenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-oxopropoxy)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;[3-[(6-ethynyl-1,4-dimethylindol-2-yl)methyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 161459424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).