1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone

C92H116N8O6 — CID 158936706

IUPAC1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccccc1C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H28N2O2.C24H28N2O.C23H30N2O2.C21H30N2O/c1-18(27)22-17-26(23-9-5-3-8-21(22)23)16-15-25-13-11-19(12-14-25)20-7-4-6-10-24(20)28-2;1-19(27)23-18-26(24-10-6-5-9-22(23)24)16-15-25-13-11-21(12-14-25)17-20-7-3-2-4-8-20;1-16(26)22-14-24(23-5-3-2-4-21(22)23)10-11-25-18-8-9-19(25)13-20(12-18)27-15-17-6-7-17;1-3-4-7-18-10-12-22(13-11-18)14-15-23-16-20(17(2)24)19-8-5-6-9-21(19)23/h3-10,17,19H,11-16H2,1-2H3;2-10,18,21H,11-17H2,1H3;2-5,14,17-20H,6-13,15H2,1H3;5-6,8-9,16,18H,3-4,7,10-15H2,1-2H3
InChIKeyJJSVBQKURCSKKJ-UHFFFAOYSA-N
MW1429.99 g/mol
LogP18.54
Rot. Bonds26

About 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone

1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone (PubChem CID 158936706) has the molecular formula C92H116N8O6 and a molecular weight of 1429.99 g/mol. Its IUPAC name is 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone
PubChem CID158936706
Molecular FormulaC92H116N8O6
Molecular Weight1429.99 g/mol
Exact Mass1428.90
IUPAC Name1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccccc1C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H28N2O2.C24H28N2O.C23H30N2O2.C21H30N2O/c1-18(27)22-17-26(23-9-5-3-8-21(22)23)16-15-25-13-11-19(12-14-25)20-7-4-6-10-24(20)28-2;1-19(27)23-18-26(24-10-6-5-9-22(23)24)16-15-25-13-11-21(12-14-25)17-20-7-3-2-4-8-20;1-16(26)22-14-24(23-5-3-2-4-21(22)23)10-11-25-18-8-9-19(25)13-20(12-18)27-15-17-6-7-17;1-3-4-7-18-10-12-22(13-11-18)14-15-23-16-20(17(2)24)19-8-5-6-9-21(19)23/h3-10,17,19H,11-16H2,1-2H3;2-10,18,21H,11-17H2,1H3;2-5,14,17-20H,6-13,15H2,1H3;5-6,8-9,16,18H,3-4,7,10-15H2,1-2H3
InChIKeyJJSVBQKURCSKKJ-UHFFFAOYSA-N
XLogP18.54
TPSA119.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.99
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone with MolForge

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Related Compounds

1-[1-[3-(4-Benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone
CID 158927298
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one
CID 159320636
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 159700021
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159766192
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[4-[4-(1-phenylethyl)piperazin-1-yl]butyl]indol-3-yl]ethanone;4-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-2-one
CID 159861540
1-[1-[3-[3-(Cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 160100859
1-[5-Bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[6-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 160312682
9-[6-[3-(8-Pyrido[3,4-b]indol-9-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrazin-2-yl]dibenzofuran-2-yl]pyrido[3,4-b]indole
CID 69285096
7-[6-[3-[6-(5a,6-Dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 70887333
7-[6-[3-[6-(5a,6-Dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 70897524
7-[6-[3-[6-(5a,6-Dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine
CID 87277151
7-[6-[3-[6-(5a,6-Dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 88557788

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone (CID 158936706) is 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone is CC(=O)c1cn(CCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccccc1C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.
What is the InChIKey of 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?
The InChIKey is JJSVBQKURCSKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.C24H28N2O.C23H30N2O2.C21H30N2O/c1-18(27)22-17-26(23-9-5-3-8-21(22)23)16-15-25-13-11-19(12-14-25)20-7-4-6-10-24(20)28-2;1-19(27)23-18-26(24-10-6-5-9-22(23)24)16-15-25-13-11-21(12-14-25)17-20-7-3-2-4-8-20;1-16(26)22-14-24(23-5-3-2-4-21(22)23)10-11-25-18-8-9-19(25)13-20(12-18)27-15-17-6-7-17;1-3-4-7-18-10-12-22(13-11-18)14-15-23-16-20(17(2)24)19-8-5-6-9-21(19)23/h3-10,17,19H,11-16H2,1-2H3;2-10,18,21H,11-17H2,1H3;2-5,14,17-20H,6-13,15H2,1H3;5-6,8-9,16,18H,3-4,7,10-15H2,1-2H3.
What are the key properties of 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone?
1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone has a molecular weight of 1429.99 g/mol, XLogP of 18.54, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-(4-butylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;1-[1-[2-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]indol-3-yl]ethanone;1-[1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 158936706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).