1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

C187H233N41O9S — CID 158976494

About 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (PubChem CID 158976494) has the molecular formula C187H233N41O9S and a molecular weight of 3231.27 g/mol. Its IUPAC name is 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
• PubChem CID: 158976494
• Molecular Formula: C187H233N41O9S
• Molecular Weight: 3231.27 g/mol
• Exact Mass: 3228.88
• IUPAC Name: 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
• SMILES: C=S(C)(=O)N1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(N2CCC(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)CC2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C5CCC5)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C5CCCCC5)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)C)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)C)CC4)cc3c2)nn1
• InChI: InChI=1S/C25H32N6O.C25H31N5O.2C24H31N5O.C23H27N5O.C23H29N5O.C22H27N5O.C21H25N5O2S/c1-29-9-7-23(8-10-29)31-11-5-18(6-12-31)25(32)15-22-14-21-13-19(3-4-20(21)16-26-22)24-17-30(2)28-27-24;1-29-17-24(27-28-29)19-7-8-20-16-26-22(14-21(20)13-19)15-25(31)18-9-11-30(12-10-18)23-5-3-2-4-6-23;2*1-24(2,3)16-29-9-7-17(8-10-29)23(30)13-21-12-20-11-18(5-6-19(20)14-25-21)22-15-28(4)27-26-22;1-27-15-22(25-26-27)17-5-6-18-14-24-20(12-19(18)11-17)13-23(29)16-7-9-28(10-8-16)21-3-2-4-21;1-16(2)14-28-8-6-17(7-9-28)23(29)12-21-11-20-10-18(4-5-19(20)13-24-21)22-15-27(3)26-25-22;1-3-8-27-9-6-16(7-10-27)22(28)13-20-12-19-11-17(4-5-18(19)14-23-20)21-15-26(2)25-24-21;1-25-14-20(23-24-25)16-4-5-17-13-22-19(11-18(17)10-16)12-21(27)15-6-8-26(9-7-15)29(2,3)28/h3-4,13-14,16-18,23H,5-12,15H2,1-2H3;7-8,13-14,16-18,23H,2-6,9-12,15H2,1H3;2*5-6,11-12,14-15,17H,7-10,13,16H2,1-4H3;5-6,11-12,14-16,21H,2-4,7-10,13H2,1H3;4-5,10-11,13,15-17H,6-9,12,14H2,1-3H3;4-5,11-12,14-16H,3,6-10,13H2,1-2H3;4-5,10-11,13-15H,2,6-9,12H2,1,3H3
• InChIKey: JOLOJYNRJKXJAL-UHFFFAOYSA-N
• XLogP: 27.23
• TPSA: 531.59 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 42
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3231.27
LogP ≤ 5	27.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

The IUPAC name of 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (CID 158976494) is 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.

What is the SMILES notation for 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

The canonical SMILES for 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is C=S(C)(=O)N1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(N2CCC(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)CC2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C5CCC5)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C5CCCCC5)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)C)CC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)C)CC4)cc3c2)nn1.

What is the InChIKey of 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

The InChIKey is JOLOJYNRJKXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.C25H31N5O.2C24H31N5O.C23H27N5O.C23H29N5O.C22H27N5O.C21H25N5O2S/c1-29-9-7-23(8-10-29)31-11-5-18(6-12-31)25(32)15-22-14-21-13-19(3-4-20(21)16-26-22)24-17-30(2)28-27-24;1-29-17-24(27-28-29)19-7-8-20-16-26-22(14-21(20)13-19)15-25(31)18-9-11-30(12-10-18)23-5-3-2-4-6-23;2*1-24(2,3)16-29-9-7-17(8-10-29)23(30)13-21-12-20-11-18(5-6-19(20)14-25-21)22-15-28(4)27-26-22;1-27-15-22(25-26-27)17-5-6-18-14-24-20(12-19(18)11-17)13-23(29)16-7-9-28(10-8-16)21-3-2-4-21;1-16(2)14-28-8-6-17(7-9-28)23(29)12-21-11-20-10-18(4-5-19(20)13-24-21)22-15-27(3)26-25-22;1-3-8-27-9-6-16(7-10-27)22(28)13-20-12-19-11-17(4-5-18(19)14-23-20)21-15-26(2)25-24-21;1-25-14-20(23-24-25)16-4-5-17-13-22-19(11-18(17)10-16)12-21(27)15-6-8-26(9-7-15)29(2,3)28/h3-4,13-14,16-18,23H,5-12,15H2,1-2H3;7-8,13-14,16-18,23H,2-6,9-12,15H2,1H3;2*5-6,11-12,14-15,17H,7-10,13,16H2,1-4H3;5-6,11-12,14-16,21H,2-4,7-10,13H2,1H3;4-5,10-11,13,15-17H,6-9,12,14H2,1-3H3;4-5,11-12,14-16H,3,6-10,13H2,1-2H3;4-5,10-11,13-15H,2,6-9,12H2,1,3H3.

What are the key properties of 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 3231.27 g/mol, XLogP of 27.23, 42 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 158976494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).