2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane

C164H197FN28O13S4 — CID 158444951

About 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane

2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane (PubChem CID 158444951) has the molecular formula C164H197FN28O13S4 and a molecular weight of 2915.83 g/mol. Its IUPAC name is 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane.

Molecular Properties

• Compound Name: 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane
• PubChem CID: 158444951
• Molecular Formula: C164H197FN28O13S4
• Molecular Weight: 2915.83 g/mol
• Exact Mass: 2913.45
• IUPAC Name: 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane
• SMILES: C.C.C.CCN(c1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C)cc1C)C1CCN(c2ccccc2C#N)CC1C.Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(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/C34H42N6O3S.C33H38FN5O3S.C32H34N6O.C31H36N6O3S.C31H35N5O3S.3CH4/c1-5-40(29-14-15-39(23-26(29)4)30-11-7-6-10-27(30)22-35)32-21-28(24(2)20-25(32)3)34(41)38-18-16-37(17-19-38)31-12-8-9-13-33(31)44(36,42)43;1-22-19-23(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;1-23-28(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;1-22-26(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;;;/h6-13,20-21,26,29H,5,14-19,23H2,1-4H3,(H2,36,42,43);4-10,19,25H,11-18,20H2,1-3H3,(H2,36,41,42);3-10,20,25H,11-19H2,1-2H3;3-10,20,24H,11-19H2,1-2H3,(H2,33,39,40);2-11,21,24H,12-20H2,1H3,(H2,33,38,39);3*1H4
• InChIKey: HDGUOOCIKIBTMN-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 546.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2915.83
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane?

The IUPAC name of 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane (CID 158444951) is 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane.

What is the SMILES notation for 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane?

The canonical SMILES for 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane is C.C.C.CCN(c1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C)cc1C)C1CCN(c2ccccc2C#N)CC1C.Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(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-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane?

The InChIKey is HDGUOOCIKIBTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O3S.C33H38FN5O3S.C32H34N6O.C31H36N6O3S.C31H35N5O3S.3CH4/c1-5-40(29-14-15-39(23-26(29)4)30-11-7-6-10-27(30)22-35)32-21-28(24(2)20-25(32)3)34(41)38-18-16-37(17-19-38)31-12-8-9-13-33(31)44(36,42)43;1-22-19-23(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;1-23-28(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;1-22-26(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;;;/h6-13,20-21,26,29H,5,14-19,23H2,1-4H3,(H2,36,42,43);4-10,19,25H,11-18,20H2,1-3H3,(H2,36,41,42);3-10,20,25H,11-19H2,1-2H3;3-10,20,24H,11-19H2,1-2H3,(H2,33,39,40);2-11,21,24H,12-20H2,1H3,(H2,33,38,39);3*1H4.

What are the key properties of 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane?

2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane has a molecular weight of 2915.83 g/mol, XLogP of 23.56, 30 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]-ethylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;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-[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;methane is sourced from PubChem (CID 158444951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).