4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C125H165ClFN11O11 — CID 162026307

IUPAC4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESCCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.CCCCC1CCN(CCCn2cc(CCC(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(F)cc2)CC1.COc1ccccc1C1CCN(CCCn2cc(C(=O)NCc3cccc(Cl)c3)c3cccc(OC)c32)CC1
InChIInChI=1S/C32H36ClN3O3.C25H29FN2O3.C24H36N2O.C23H34N2O2.C21H30N2O2/c1-38-29-12-4-3-10-26(29)24-14-18-35(19-15-24)16-7-17-36-22-28(27-11-6-13-30(39-2)31(27)36)32(37)34-21-23-8-5-9-25(33)20-23;1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-3-4-8-21-13-17-25(18-14-21)15-7-16-26-19-22(12-11-20(2)27)23-9-5-6-10-24(23)26;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23/h3-6,8-13,20,22,24H,7,14-19,21H2,1-2H3,(H,34,37);4-9,16-17,21H,3,10-15H2,1-2H3;5-6,9-10,19,21H,3-4,7-8,11-18H2,1-2H3;8-9,16-17,19H,4-7,10-15H2,1-3H3;4-5,7-8,16,18H,3,6,9-15H2,1-2H3
InChIKeyYVKMXOMKTKDDKR-UHFFFAOYSA-N
MW2052.21 g/mol
LogP26.16
Rot. Bonds45

About 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 162026307) has the molecular formula C125H165ClFN11O11 and a molecular weight of 2052.21 g/mol. Its IUPAC name is 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
PubChem CID162026307
Molecular FormulaC125H165ClFN11O11
Molecular Weight2052.21 g/mol
Exact Mass2050.24
IUPAC Name4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESCCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.CCCCC1CCN(CCCn2cc(CCC(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(F)cc2)CC1.COc1ccccc1C1CCN(CCCn2cc(C(=O)NCc3cccc(Cl)c3)c3cccc(OC)c32)CC1
InChIInChI=1S/C32H36ClN3O3.C25H29FN2O3.C24H36N2O.C23H34N2O2.C21H30N2O2/c1-38-29-12-4-3-10-26(29)24-14-18-35(19-15-24)16-7-17-36-22-28(27-11-6-13-30(39-2)31(27)36)32(37)34-21-23-8-5-9-25(33)20-23;1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-3-4-8-21-13-17-25(18-14-21)15-7-16-26-19-22(12-11-20(2)27)23-9-5-6-10-24(23)26;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23/h3-6,8-13,20,22,24H,7,14-19,21H2,1-2H3,(H,34,37);4-9,16-17,21H,3,10-15H2,1-2H3;5-6,9-10,19,21H,3-4,7-8,11-18H2,1-2H3;8-9,16-17,19H,4-7,10-15H2,1-3H3;4-5,7-8,16,18H,3,6,9-15H2,1-2H3
InChIKeyYVKMXOMKTKDDKR-UHFFFAOYSA-N
XLogP26.16
TPSA193.61 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds45
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.21
LogP ≤ 526.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The IUPAC name of 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 162026307) is 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.
What is the SMILES notation for 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The canonical SMILES for 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is CCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.CCCCC1CCN(CCCn2cc(CCC(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(F)cc2)CC1.COc1ccccc1C1CCN(CCCn2cc(C(=O)NCc3cccc(Cl)c3)c3cccc(OC)c32)CC1.
What is the InChIKey of 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The InChIKey is YVKMXOMKTKDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O3.C25H29FN2O3.C24H36N2O.C23H34N2O2.C21H30N2O2/c1-38-29-12-4-3-10-26(29)24-14-18-35(19-15-24)16-7-17-36-22-28(27-11-6-13-30(39-2)31(27)36)32(37)34-21-23-8-5-9-25(33)20-23;1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-3-4-8-21-13-17-25(18-14-21)15-7-16-26-19-22(12-11-20(2)27)23-9-5-6-10-24(23)26;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23/h3-6,8-13,20,22,24H,7,14-19,21H2,1-2H3,(H,34,37);4-9,16-17,21H,3,10-15H2,1-2H3;5-6,9-10,19,21H,3-4,7-8,11-18H2,1-2H3;8-9,16-17,19H,4-7,10-15H2,1-3H3;4-5,7-8,16,18H,3,6,9-15H2,1-2H3.
What are the key properties of 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2052.21 g/mol, XLogP of 26.16, 45 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]butan-2-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 162026307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).