2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile

C130H151N21O7S — CID 157180298

About 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile

2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile (PubChem CID 157180298) has the molecular formula C130H151N21O7S and a molecular weight of 2151.84 g/mol. Its IUPAC name is 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile
• PubChem CID: 157180298
• Molecular Formula: C130H151N21O7S
• Molecular Weight: 2151.84 g/mol
• Exact Mass: 2150.18
• IUPAC Name: 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile
• SMILES: C=CCN(c1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C)cc1C)C1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](CO)C2)cc1NC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1
• InChI: InChI=1S/C34H40N6O3S.C33H38N4O.C32H37N5O.C31H36N6O2/c1-4-15-40(28-13-16-37(17-14-28)30-10-6-5-9-27(30)24-35)32-23-29(25(2)22-26(32)3)34(41)39-20-18-38(19-21-39)31-11-7-8-12-33(31)44(36,42)43;1-24-19-25(2)31(33(38)36-17-18-37(26(3)23-36)30-10-5-4-6-11-30)21-29(24)20-27-13-15-35(16-14-27)32-12-8-7-9-28(32)22-34;1-23-18-24(2)29(32(38)36-16-17-37(25(3)22-36)31-10-6-7-13-34-31)20-28(23)19-26-11-14-35(15-12-26)30-9-5-4-8-27(30)21-33;1-22-17-23(2)28(34-25-10-13-35(14-11-25)29-8-4-3-7-24(29)19-32)18-27(22)31(39)36-15-16-37(26(20-36)21-38)30-9-5-6-12-33-30/h4-12,22-23,28H,1,13-21H2,2-3H3,(H2,36,42,43);4-12,19,21,26-27H,13-18,20,23H2,1-3H3;4-10,13,18,20,25-26H,11-12,14-17,19,22H2,1-3H3;3-9,12,17-18,25-26,34,38H,10-11,13-16,20-21H2,1-2H3/t;26-;25-;26-/m.111/s1
• InChIKey: AOMNLXODIHONAX-XQBAMRBKSA-N
• XLogP: 19.79
• TPSA: 323.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.84
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile?

The IUPAC name of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile (CID 157180298) is 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile.

What is the SMILES notation for 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile?

The canonical SMILES for 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile is C=CCN(c1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C)cc1C)C1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](CO)C2)cc1NC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.

What is the InChIKey of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile?

The InChIKey is AOMNLXODIHONAX-XQBAMRBKSA-N. The full InChI is InChI=1S/C34H40N6O3S.C33H38N4O.C32H37N5O.C31H36N6O2/c1-4-15-40(28-13-16-37(17-14-28)30-10-6-5-9-27(30)24-35)32-23-29(25(2)22-26(32)3)34(41)39-20-18-38(19-21-39)31-11-7-8-12-33(31)44(36,42)43;1-24-19-25(2)31(33(38)36-17-18-37(26(3)23-36)30-10-5-4-6-11-30)21-29(24)20-27-13-15-35(16-14-27)32-12-8-7-9-28(32)22-34;1-23-18-24(2)29(32(38)36-16-17-37(25(3)22-36)31-10-6-7-13-34-31)20-28(23)19-26-11-14-35(15-12-26)30-9-5-4-8-27(30)21-33;1-22-17-23(2)28(34-25-10-13-35(14-11-25)29-8-4-3-7-24(29)19-32)18-27(22)31(39)36-15-16-37(26(20-36)21-38)30-9-5-6-12-33-30/h4-12,22-23,28H,1,13-21H2,2-3H3,(H2,36,42,43);4-12,19,21,26-27H,13-18,20,23H2,1-3H3;4-10,13,18,20,25-26H,11-12,14-17,19,22H2,1-3H3;3-9,12,17-18,25-26,34,38H,10-11,13-16,20-21H2,1-2H3/t;26-;25-;26-/m.111/s1.

What are the key properties of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile?

2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile has a molecular weight of 2151.84 g/mol, XLogP of 19.79, 24 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]-prop-2-enylamino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3R)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[5-[(3R)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 157180298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).