1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone

C77H88Cl3F3N6O9S — CID 161081428

IUPAC1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1.O=C(c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C28H35ClN2O3.C25H29ClN2O3.C24H24ClF3N2O3S/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;25-17-6-8-18(9-7-17)34(32,33)19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30/h7-12,19-20,23H,3-6,13-18H2,1-2H3;4-9,16-17,21H,3,10-15H2,1-2H3;1-2,4-9,16,19H,3,10-15H2
InChIKeyUFYRRAUEADUQBC-UHFFFAOYSA-N
MW1437.00 g/mol
LogP17.42
Rot. Bonds26

About 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone

1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 161081428) has the molecular formula C77H88Cl3F3N6O9S and a molecular weight of 1437.00 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID161081428
Molecular FormulaC77H88Cl3F3N6O9S
Molecular Weight1437.00 g/mol
Exact Mass1434.54
IUPAC Name1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1.O=C(c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C28H35ClN2O3.C25H29ClN2O3.C24H24ClF3N2O3S/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;25-17-6-8-18(9-7-17)34(32,33)19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30/h7-12,19-20,23H,3-6,13-18H2,1-2H3;4-9,16-17,21H,3,10-15H2,1-2H3;1-2,4-9,16,19H,3,10-15H2
InChIKeyUFYRRAUEADUQBC-UHFFFAOYSA-N
XLogP17.42
TPSA146.78 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms99
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.00
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone (CID 161081428) is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone is CCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1.O=C(c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is UFYRRAUEADUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O3.C25H29ClN2O3.C24H24ClF3N2O3S/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;25-17-6-8-18(9-7-17)34(32,33)19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30/h7-12,19-20,23H,3-6,13-18H2,1-2H3;4-9,16-17,21H,3,10-15H2,1-2H3;1-2,4-9,16,19H,3,10-15H2.
What are the key properties of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 1437.00 g/mol, XLogP of 17.42, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 161081428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).