1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one

C108H138ClN9O9S — CID 158028392

IUPAC1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one
SMILESCC(C)CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(O)(Cc4ccccc4)CC3)c12
InChIInChI=1S/C30H37ClN2O3.C28H33N3OS.C26H32N2O3.C24H36N2O2/c1-3-4-6-30(34)28-20-32(29-14-13-25(35-2)19-27(28)29)15-5-16-33-22-9-10-23(33)18-26(17-22)36-24-11-7-21(31)8-12-24;1-20(2)18-26(32)23-19-31(25-10-5-3-8-22(23)25)15-7-14-30-16-12-21(13-17-30)28-29-24-9-4-6-11-27(24)33-28;1-20(29)23-19-28(25-22(23)10-6-11-24(25)31-2)15-7-14-27-16-12-26(30,13-17-27)18-21-8-4-3-5-9-21;1-4-16-28-20-10-14-25(15-11-20)12-7-13-26-18-22(24(27)17-19(2)3)21-8-5-6-9-23(21)26/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;3-6,8-11,19-21H,7,12-18H2,1-2H3;3-6,8-11,19,30H,7,12-18H2,1-2H3;5-6,8-9,18-20H,4,7,10-17H2,1-3H3
InChIKeyFGWNWIPYDJVZRB-UHFFFAOYSA-N
MW1773.87 g/mol
LogP23.35
Rot. Bonds37

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one (PubChem CID 158028392) has the molecular formula C108H138ClN9O9S and a molecular weight of 1773.87 g/mol. Its IUPAC name is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one
PubChem CID158028392
Molecular FormulaC108H138ClN9O9S
Molecular Weight1773.87 g/mol
Exact Mass1772.00
IUPAC Name1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one
SMILESCC(C)CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(O)(Cc4ccccc4)CC3)c12
InChIInChI=1S/C30H37ClN2O3.C28H33N3OS.C26H32N2O3.C24H36N2O2/c1-3-4-6-30(34)28-20-32(29-14-13-25(35-2)19-27(28)29)15-5-16-33-22-9-10-23(33)18-26(17-22)36-24-11-7-21(31)8-12-24;1-20(2)18-26(32)23-19-31(25-10-5-3-8-22(23)25)15-7-14-30-16-12-21(13-17-30)28-29-24-9-4-6-11-27(24)33-28;1-20(29)23-19-28(25-22(23)10-6-11-24(25)31-2)15-7-14-27-16-12-26(30,13-17-27)18-21-8-4-3-5-9-21;1-4-16-28-20-10-14-25(15-11-20)12-7-13-26-18-22(24(27)17-19(2)3)21-8-5-6-9-23(21)26/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;3-6,8-11,19-21H,7,12-18H2,1-2H3;3-6,8-11,19,30H,7,12-18H2,1-2H3;5-6,8-9,18-20H,4,7,10-17H2,1-3H3
InChIKeyFGWNWIPYDJVZRB-UHFFFAOYSA-N
XLogP23.35
TPSA171.00 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms128
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.87
LogP ≤ 523.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?
The IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one (CID 158028392) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one.
What is the SMILES notation for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?
The canonical SMILES for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one is CC(C)CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(O)(Cc4ccccc4)CC3)c12.
What is the InChIKey of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?
The InChIKey is FGWNWIPYDJVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN2O3.C28H33N3OS.C26H32N2O3.C24H36N2O2/c1-3-4-6-30(34)28-20-32(29-14-13-25(35-2)19-27(28)29)15-5-16-33-22-9-10-23(33)18-26(17-22)36-24-11-7-21(31)8-12-24;1-20(2)18-26(32)23-19-31(25-10-5-3-8-22(23)25)15-7-14-30-16-12-21(13-17-30)28-29-24-9-4-6-11-27(24)33-28;1-20(29)23-19-28(25-22(23)10-6-11-24(25)31-2)15-7-14-27-16-12-26(30,13-17-27)18-21-8-4-3-5-9-21;1-4-16-28-20-10-14-25(15-11-20)12-7-13-26-18-22(24(27)17-19(2)3)21-8-5-6-9-23(21)26/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;3-6,8-11,19-21H,7,12-18H2,1-2H3;3-6,8-11,19,30H,7,12-18H2,1-2H3;5-6,8-9,18-20H,4,7,10-17H2,1-3H3.
What are the key properties of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one has a molecular weight of 1773.87 g/mol, XLogP of 23.35, 37 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one is sourced from PubChem (CID 158028392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).