1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate

C124H143Br2Cl2N9O14S — CID 158495057

IUPAC1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate
SMILESCC(=O)c1cn(CC(O)CN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCC2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)CC)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C27H29BrClNO2.C25H27BrN2O2.C25H29ClN2O4S.C25H28N2O3.C22H30N2O3/c1-17(31)26-16-30(27-15-20(28)6-11-25(26)27)12-2-3-24-18-4-5-19(24)14-23(13-18)32-22-9-7-21(29)8-10-22;1-18(29)23-17-28(24-9-8-21(26)16-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19;1-18(29)23-17-28(25-22(23)5-3-6-24(25)32-2)14-4-13-27-15-11-21(12-16-27)33(30,31)20-9-7-19(26)8-10-20;1-18(28)23-17-27(24-10-6-5-9-22(23)24)16-21(29)15-26-13-11-20(12-14-26)25(30)19-7-3-2-4-8-19;1-3-21(25)19-16-24(20-9-6-5-8-18(19)20)13-7-12-23-14-10-17(11-15-23)22(26)27-4-2/h6-11,15-16,18-19,23-24H,2-5,12-14H2,1H3;2-4,6-9,16-17,20H,5,10-15H2,1H3;3,5-10,17,21H,4,11-16H2,1-2H3;2-10,17,20-21,29H,11-16H2,1H3;5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3
InChIKeyHJEDYAQRQTXWFG-UHFFFAOYSA-N
MW2246.34 g/mol
LogP26.05
Rot. Bonds37

About 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate

1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate (PubChem CID 158495057) has the molecular formula C124H143Br2Cl2N9O14S and a molecular weight of 2246.34 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate
PubChem CID158495057
Molecular FormulaC124H143Br2Cl2N9O14S
Molecular Weight2246.34 g/mol
Exact Mass2241.82
IUPAC Name1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate
SMILESCC(=O)c1cn(CC(O)CN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCC2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)CC)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C27H29BrClNO2.C25H27BrN2O2.C25H29ClN2O4S.C25H28N2O3.C22H30N2O3/c1-17(31)26-16-30(27-15-20(28)6-11-25(26)27)12-2-3-24-18-4-5-19(24)14-23(13-18)32-22-9-7-21(29)8-10-22;1-18(29)23-17-28(24-9-8-21(26)16-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19;1-18(29)23-17-28(25-22(23)5-3-6-24(25)32-2)14-4-13-27-15-11-21(12-16-27)33(30,31)20-9-7-19(26)8-10-20;1-18(28)23-17-27(24-10-6-5-9-22(23)24)16-21(29)15-26-13-11-20(12-14-26)25(30)19-7-3-2-4-8-19;1-3-21(25)19-16-24(20-9-6-5-8-18(19)20)13-7-12-23-14-10-17(11-15-23)22(26)27-4-2/h6-11,15-16,18-19,23-24H,2-5,12-14H2,1H3;2-4,6-9,16-17,20H,5,10-15H2,1H3;3,5-10,17,21H,4,11-16H2,1-2H3;2-10,17,20-21,29H,11-16H2,1H3;5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3
InChIKeyHJEDYAQRQTXWFG-UHFFFAOYSA-N
XLogP26.05
TPSA256.23 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds37
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.34
LogP ≤ 526.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate?
The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate (CID 158495057) is 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate.
What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate?
The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate is CC(=O)c1cn(CC(O)CN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCC2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)CC)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate?
The InChIKey is HJEDYAQRQTXWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BrClNO2.C25H27BrN2O2.C25H29ClN2O4S.C25H28N2O3.C22H30N2O3/c1-17(31)26-16-30(27-15-20(28)6-11-25(26)27)12-2-3-24-18-4-5-19(24)14-23(13-18)32-22-9-7-21(29)8-10-22;1-18(29)23-17-28(24-9-8-21(26)16-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19;1-18(29)23-17-28(25-22(23)5-3-6-24(25)32-2)14-4-13-27-15-11-21(12-16-27)33(30,31)20-9-7-19(26)8-10-20;1-18(28)23-17-27(24-10-6-5-9-22(23)24)16-21(29)15-26-13-11-20(12-14-26)25(30)19-7-3-2-4-8-19;1-3-21(25)19-16-24(20-9-6-5-8-18(19)20)13-7-12-23-14-10-17(11-15-23)22(26)27-4-2/h6-11,15-16,18-19,23-24H,2-5,12-14H2,1H3;2-4,6-9,16-17,20H,5,10-15H2,1H3;3,5-10,17,21H,4,11-16H2,1-2H3;2-10,17,20-21,29H,11-16H2,1H3;5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3.
What are the key properties of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate?
1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate has a molecular weight of 2246.34 g/mol, XLogP of 26.05, 37 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate is sourced from PubChem (CID 158495057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).