2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile

C106H113Cl8N13O4 — CID 158393500

About 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile

2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile (PubChem CID 158393500) has the molecular formula C106H113Cl8N13O4 and a molecular weight of 1916.78 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
• PubChem CID: 158393500
• Molecular Formula: C106H113Cl8N13O4
• Molecular Weight: 1916.78 g/mol
• Exact Mass: 1911.65
• IUPAC Name: 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
• SMILES: CCC(C)(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(N(C)C)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCC(C)C3)c1Cl)n2C
• InChI: InChI=1S/C29H33Cl2N3O.C26H28Cl2N4O.C26H27Cl2N3O.C25H25Cl2N3O/c1-6-29(3,4)20-9-11-34(12-10-20)28(35)22-7-8-25(30)24(27(22)31)16-21-15-23-18(2)13-19(17-32)14-26(23)33(21)5;1-16-11-17(15-29)12-24-21(16)13-19(31(24)4)14-22-23(27)6-5-20(25(22)28)26(33)32-9-7-18(8-10-32)30(2)3;1-4-17-7-9-31(10-8-17)26(32)20-5-6-23(27)22(25(20)28)14-19-13-21-16(2)11-18(15-29)12-24(21)30(19)3;1-15-5-4-8-30(14-15)25(31)19-6-7-22(26)21(24(19)27)12-18-11-20-16(2)9-17(13-28)10-23(20)29(18)3/h7-8,13-15,20H,6,9-12,16H2,1-5H3;5-6,11-13,18H,7-10,14H2,1-4H3;5-6,11-13,17H,4,7-10,14H2,1-3H3;6-7,9-11,15H,4-5,8,12,14H2,1-3H3
• InChIKey: GXGKGNZRWRWMMA-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 199.36 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.78
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

The IUPAC name of 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile (CID 158393500) is 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile.

What is the SMILES notation for 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

The canonical SMILES for 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile is CCC(C)(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(N(C)C)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCC(C)C3)c1Cl)n2C.

What is the InChIKey of 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

The InChIKey is GXGKGNZRWRWMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2N3O.C26H28Cl2N4O.C26H27Cl2N3O.C25H25Cl2N3O/c1-6-29(3,4)20-9-11-34(12-10-20)28(35)22-7-8-25(30)24(27(22)31)16-21-15-23-18(2)13-19(17-32)14-26(23)33(21)5;1-16-11-17(15-29)12-24-21(16)13-19(31(24)4)14-22-23(27)6-5-20(25(22)28)26(33)32-9-7-18(8-10-32)30(2)3;1-4-17-7-9-31(10-8-17)26(32)20-5-6-23(27)22(25(20)28)14-19-13-21-16(2)11-18(15-29)12-24(21)30(19)3;1-15-5-4-8-30(14-15)25(31)19-6-7-22(26)21(24(19)27)12-18-11-20-16(2)9-17(13-28)10-23(20)29(18)3/h7-8,13-15,20H,6,9-12,16H2,1-5H3;5-6,11-13,18H,7-10,14H2,1-4H3;5-6,11-13,17H,4,7-10,14H2,1-3H3;6-7,9-11,15H,4-5,8,12,14H2,1-3H3.

What are the key properties of 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile has a molecular weight of 1916.78 g/mol, XLogP of 25.61, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dichloro-3-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile is sourced from PubChem (CID 158393500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).