2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide

C190H216F2N34O16S5 — CID 158236760

About 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide

2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 158236760) has the molecular formula C190H216F2N34O16S5 and a molecular weight of 3430.37 g/mol. Its IUPAC name is 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide
• PubChem CID: 158236760
• Molecular Formula: C190H216F2N34O16S5
• Molecular Weight: 3430.37 g/mol
• Exact Mass: 3427.57
• IUPAC Name: 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide
• SMILES: Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(N)(=O)=O)CC2)c(C)c1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(N)(=O)=O)CC2)nc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ncccc3S(N)(=O)=O)CC2)c(C)c1CC1CCN(c2ccccc2C#N)CC1.Cc1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1
• InChI: InChI=1S/C33H38FN5O3S.C32H38N6O3S.C32H34N6O.C31H35FN6O3S.C31H36N6O3S.C31H35N5O3S/c1-22-19-23(2)31(24(3)27(22)20-25-11-13-37(14-12-25)29-9-5-4-7-26(29)21-35)33(40)39-17-15-38(16-18-39)30-10-6-8-28(34)32(30)43(36,41)42;1-22-19-23(2)30(32(39)38-17-15-37(16-18-38)31-29(42(34,40)41)9-6-12-35-31)24(3)27(22)20-25-10-13-36(14-11-25)28-8-5-4-7-26(28)21-33;1-23-28(19-25-11-13-36(14-12-25)30-9-5-3-7-26(30)21-33)20-29(24(2)35-23)32(39)38-17-15-37(16-18-38)31-10-6-4-8-27(31)22-34;1-21-18-22(2)29(35-26(21)19-23-10-12-36(13-11-23)27-8-4-3-6-24(27)20-33)31(39)38-16-14-37(15-17-38)28-9-5-7-25(32)30(28)42(34,40)41;1-22-26(19-24-11-13-35(14-12-24)28-8-4-3-7-25(28)21-32)20-27(23(2)34-22)31(38)37-17-15-36(16-18-37)29-9-5-6-10-30(29)41(33,39)40;1-23-10-11-25(21-27(23)20-24-12-14-34(15-13-24)28-7-3-2-6-26(28)22-32)31(37)36-18-16-35(17-19-36)29-8-4-5-9-30(29)40(33,38)39/h4-10,19,25H,11-18,20H2,1-3H3,(H2,36,41,42);4-9,12,19,25H,10-11,13-18,20H2,1-3H3,(H2,34,40,41);3-10,20,25H,11-19H2,1-2H3;3-9,18,23H,10-17,19H2,1-2H3,(H2,34,40,41);3-10,20,24H,11-19H2,1-2H3,(H2,33,39,40);2-11,21,24H,12-20H2,1H3,(H2,33,38,39)
• InChIKey: GFBCYJBTVVOHST-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 679.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3430.37
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide?

The IUPAC name of 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide (CID 158236760) is 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide?

The canonical SMILES for 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide is Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(N)(=O)=O)CC2)c(C)c1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(N)(=O)=O)CC2)nc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ncccc3S(N)(=O)=O)CC2)c(C)c1CC1CCN(c2ccccc2C#N)CC1.Cc1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.

What is the InChIKey of 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide?

The InChIKey is GFBCYJBTVVOHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN5O3S.C32H38N6O3S.C32H34N6O.C31H35FN6O3S.C31H36N6O3S.C31H35N5O3S/c1-22-19-23(2)31(24(3)27(22)20-25-11-13-37(14-12-25)29-9-5-4-7-26(29)21-35)33(40)39-17-15-38(16-18-39)30-10-6-8-28(34)32(30)43(36,41)42;1-22-19-23(2)30(32(39)38-17-15-37(16-18-38)31-29(42(34,40)41)9-6-12-35-31)24(3)27(22)20-25-10-13-36(14-11-25)28-8-5-4-7-26(28)21-33;1-23-28(19-25-11-13-36(14-12-25)30-9-5-3-7-26(30)21-33)20-29(24(2)35-23)32(39)38-17-15-37(16-18-38)31-10-6-4-8-27(31)22-34;1-21-18-22(2)29(35-26(21)19-23-10-12-36(13-11-23)27-8-4-3-6-24(27)20-33)31(39)38-16-14-37(15-17-38)28-9-5-7-25(32)30(28)42(34,40)41;1-22-26(19-24-11-13-35(14-12-24)28-8-4-3-7-25(28)21-32)20-27(23(2)34-22)31(38)37-17-15-36(16-18-37)29-9-5-6-10-30(29)41(33,39)40;1-23-10-11-25(21-27(23)20-24-12-14-34(15-13-24)28-7-3-2-6-26(28)22-32)31(37)36-18-16-35(17-19-36)29-8-4-5-9-30(29)40(33,38)39/h4-10,19,25H,11-18,20H2,1-3H3,(H2,36,41,42);4-9,12,19,25H,10-11,13-18,20H2,1-3H3,(H2,34,40,41);3-10,20,25H,11-19H2,1-2H3;3-9,18,23H,10-17,19H2,1-2H3,(H2,34,40,41);3-10,20,24H,11-19H2,1-2H3,(H2,33,39,40);2-11,21,24H,12-20H2,1H3,(H2,33,38,39).

What are the key properties of 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide?

2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 3430.37 g/mol, XLogP of 24.86, 35 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carbonyl]piperazin-1-yl]benzenesulfonamide;2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-6-fluorobenzenesulfonamide;2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158236760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).