benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate

C144H193N15O30S10 — CID 159226353

About benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate

benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate (PubChem CID 159226353) has the molecular formula C144H193N15O30S10 and a molecular weight of 2934.87 g/mol. Its IUPAC name is benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
• PubChem CID: 159226353
• Molecular Formula: C144H193N15O30S10
• Molecular Weight: 2934.87 g/mol
• Exact Mass: 2932.12
• IUPAC Name: benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
• SMILES: CC(C)(C)COC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCC(C)(C)O)CC4)cc3s2)CC1.CC(C)(O)CCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OC5(C)CC5)CC4)sc3c2)CC1.CC(C)(O)CCS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(C(=O)OCc5ccccc5)CC4)sc3c2)CC1.Cc1ccc(OC(=O)N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)cc1.Cc1ccc(OC(=O)N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCCCO)CC5)cc4s3)CC2)cc1
• InChI: InChI=1S/2C30H39N3O6S2.C29H37N3O6S2.C28H41N3O6S2.C27H37N3O6S2/c1-21-4-7-24(8-5-21)39-29(34)32-15-12-25(13-16-32)38-28-31-26-9-6-23(20-27(26)40-28)22-10-17-33(18-11-22)41(36,37)19-14-30(2,3)35;1-30(2,35)14-19-41(36,37)33-17-10-23(11-18-33)24-8-9-26-27(20-24)40-28(31-26)39-25-12-15-32(16-13-25)29(34)38-21-22-6-4-3-5-7-22;1-21-4-7-24(8-5-21)38-29(34)31-14-12-25(13-15-31)37-28-30-26-9-6-23(20-27(26)39-28)22-10-16-32(17-11-22)40(35,36)19-3-2-18-33;1-27(2,3)19-36-26(32)30-13-10-22(11-14-30)37-25-29-23-7-6-21(18-24(23)38-25)20-8-15-31(16-9-20)39(34,35)17-12-28(4,5)33;1-26(2,32)12-17-38(33,34)30-15-6-19(7-16-30)20-4-5-22-23(18-20)37-24(28-22)35-21-8-13-29(14-9-21)25(31)36-27(3)10-11-27/h4-9,20,22,25,35H,10-19H2,1-3H3;3-9,20,23,25,35H,10-19,21H2,1-2H3;4-9,20,22,25,33H,2-3,10-19H2,1H3;6-8,18,22,33H,9-17,19H2,1-5H3;4-6,18,21,32H,7-17H2,1-3H3
• InChIKey: KSIIYGPWLZQLSW-UHFFFAOYSA-N
• XLogP: 24.70
• TPSA: 546.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2934.87
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

The IUPAC name of benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate (CID 159226353) is benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate.

What is the SMILES notation for benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

The canonical SMILES for benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate is CC(C)(C)COC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCC(C)(C)O)CC4)cc3s2)CC1.CC(C)(O)CCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OC5(C)CC5)CC4)sc3c2)CC1.CC(C)(O)CCS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(C(=O)OCc5ccccc5)CC4)sc3c2)CC1.Cc1ccc(OC(=O)N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)cc1.Cc1ccc(OC(=O)N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCCCO)CC5)cc4s3)CC2)cc1.

What is the InChIKey of benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

The InChIKey is KSIIYGPWLZQLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H39N3O6S2.C29H37N3O6S2.C28H41N3O6S2.C27H37N3O6S2/c1-21-4-7-24(8-5-21)39-29(34)32-15-12-25(13-16-32)38-28-31-26-9-6-23(20-27(26)40-28)22-10-17-33(18-11-22)41(36,37)19-14-30(2,3)35;1-30(2,35)14-19-41(36,37)33-17-10-23(11-18-33)24-8-9-26-27(20-24)40-28(31-26)39-25-12-15-32(16-13-25)29(34)38-21-22-6-4-3-5-7-22;1-21-4-7-24(8-5-21)38-29(34)31-14-12-25(13-15-31)37-28-30-26-9-6-23(20-27(26)39-28)22-10-16-32(17-11-22)40(35,36)19-3-2-18-33;1-27(2,3)19-36-26(32)30-13-10-22(11-14-30)37-25-29-23-7-6-21(18-24(23)38-25)20-8-15-31(16-9-20)39(34,35)17-12-28(4,5)33;1-26(2,32)12-17-38(33,34)30-15-6-19(7-16-30)20-4-5-22-23(18-20)37-24(28-22)35-21-8-13-29(14-9-21)25(31)36-27(3)10-11-27/h4-9,20,22,25,35H,10-19H2,1-3H3;3-9,20,23,25,35H,10-19,21H2,1-2H3;4-9,20,22,25,33H,2-3,10-19H2,1H3;6-8,18,22,33H,9-17,19H2,1-5H3;4-6,18,21,32H,7-17H2,1-3H3.

What are the key properties of benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate has a molecular weight of 2934.87 g/mol, XLogP of 24.70, 42 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2,2-dimethylpropyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;(4-methylphenyl) 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 159226353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).