[5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile

C157H180Cl3FN22O5 — CID 158145819

About [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile

[5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile (PubChem CID 158145819) has the molecular formula C157H180Cl3FN22O5 and a molecular weight of 2580.67 g/mol. Its IUPAC name is [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile
• PubChem CID: 158145819
• Molecular Formula: C157H180Cl3FN22O5
• Molecular Weight: 2580.67 g/mol
• Exact Mass: 2577.36
• IUPAC Name: [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile
• SMILES: Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cccc(N2CCN(C(=O)c3cc(NC4CCN(c5ccccc5Cl)CC4)c(C)cc3C)CC2)n1
• InChI: InChI=1S/C33H38N4O.C32H35ClN4O.C32H37N5O.C30H34ClFN4O.C30H36ClN5O/c1-24-19-25(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;1-23-19-24(2)28(32(38)37-17-15-36(16-18-37)30-9-5-3-7-26(30)22-34)21-27(23)20-25-11-13-35(14-12-25)31-10-6-4-8-29(31)33;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;1-21-17-22(2)26(30(37)36-15-13-35(14-16-36)29-8-7-25(32)20-33-29)19-24(21)18-23-9-11-34(12-10-23)28-6-4-3-5-27(28)31;1-21-19-22(2)27(33-24-11-13-34(14-12-24)28-9-5-4-8-26(28)31)20-25(21)30(37)36-17-15-35(16-18-36)29-10-6-7-23(3)32-29/h4-12,19,21,26-27H,13-18,20,23H2,1-3H3;3-10,19,21,25H,11-18,20H2,1-2H3;4-10,13,18,20,25-26H,11-12,14-17,19,22H2,1-3H3;3-8,17,19-20,23H,9-16,18H2,1-2H3;4-10,19-20,24,33H,11-18H2,1-3H3/t26-;;25-;;/m0.0../s1
• InChIKey: FUMSLQSCZKKBRY-QKKOGXLBSA-N
• XLogP: 29.23
• TPSA: 256.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2580.67
LogP ≤ 5	29.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile?

The IUPAC name of [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile (CID 158145819) is [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile.

What is the SMILES notation for [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile?

The canonical SMILES for [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile is Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cccc(N2CCN(C(=O)c3cc(NC4CCN(c5ccccc5Cl)CC4)c(C)cc3C)CC2)n1.

What is the InChIKey of [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile?

The InChIKey is FUMSLQSCZKKBRY-QKKOGXLBSA-N. The full InChI is InChI=1S/C33H38N4O.C32H35ClN4O.C32H37N5O.C30H34ClFN4O.C30H36ClN5O/c1-24-19-25(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;1-23-19-24(2)28(32(38)37-17-15-36(16-18-37)30-9-5-3-7-26(30)22-34)21-27(23)20-25-11-13-35(14-12-25)31-10-6-4-8-29(31)33;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;1-21-17-22(2)26(30(37)36-15-13-35(14-16-36)29-8-7-25(32)20-33-29)19-24(21)18-23-9-11-34(12-10-23)28-6-4-3-5-27(28)31;1-21-19-22(2)27(33-24-11-13-34(14-12-24)28-9-5-4-8-26(28)31)20-25(21)30(37)36-17-15-35(16-18-36)29-10-6-7-23(3)32-29/h4-12,19,21,26-27H,13-18,20,23H2,1-3H3;3-10,19,21,25H,11-18,20H2,1-2H3;4-10,13,18,20,25-26H,11-12,14-17,19,22H2,1-3H3;3-8,17,19-20,23H,9-16,18H2,1-2H3;4-10,19-20,24,33H,11-18H2,1-3H3/t26-;;25-;;/m0.0../s1.

What are the key properties of [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile?

[5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile has a molecular weight of 2580.67 g/mol, XLogP of 29.23, 25 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[1-(2-chlorophenyl)piperidin-4-yl]amino]-2,4-dimethylphenyl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzonitrile;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-phenylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 158145819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).