1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one

C80H93BrN6O8 — CID 159394350

IUPAC1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one
SMILESCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2cc(Br)ccc12.CCCCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(OC)cc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H36N2O3.C26H30N2O3.C25H27BrN2O2/c1-3-4-11-28(32)26-21-31(27-13-12-24(34-2)20-25(26)27)17-8-16-30-18-14-23(15-19-30)29(33)22-9-6-5-7-10-22;1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20;1-18(29)23-17-28(24-16-21(26)8-9-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19/h5-7,9-10,12-13,20-21,23H,3-4,8,11,14-19H2,1-2H3;3-5,7-10,17-18,21H,6,11-16H2,1-2H3;2-4,6-9,16-17,20H,5,10-15H2,1H3
InChIKeyLMNGNFATMBULFZ-UHFFFAOYSA-N
MW1346.56 g/mol
LogP16.44
Rot. Bonds26

About 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one (PubChem CID 159394350) has the molecular formula C80H93BrN6O8 and a molecular weight of 1346.56 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one
PubChem CID159394350
Molecular FormulaC80H93BrN6O8
Molecular Weight1346.56 g/mol
Exact Mass1344.62
IUPAC Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one
SMILESCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2cc(Br)ccc12.CCCCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(OC)cc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H36N2O3.C26H30N2O3.C25H27BrN2O2/c1-3-4-11-28(32)26-21-31(27-13-12-24(34-2)20-25(26)27)17-8-16-30-18-14-23(15-19-30)29(33)22-9-6-5-7-10-22;1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20;1-18(29)23-17-28(24-16-21(26)8-9-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19/h5-7,9-10,12-13,20-21,23H,3-4,8,11,14-19H2,1-2H3;3-5,7-10,17-18,21H,6,11-16H2,1-2H3;2-4,6-9,16-17,20H,5,10-15H2,1H3
InChIKeyLMNGNFATMBULFZ-UHFFFAOYSA-N
XLogP16.44
TPSA145.39 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.56
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one with MolForge

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Related Compounds

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-[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-Benzyl-6-bromo-5-methoxy-2-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethanone;1-[1-benzyl-6-fluoro-5-methoxy-2-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethanone;1-[1-benzyl-5-methoxy-2-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethanone
CID 164096090
2-(1-Ethyl-5-methoxy-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 139080611
3-[4-(2-Amino-4-bromo-3,5-difluorophenyl)triazol-1-yl]-1-[1-(1-benzyl-5-methoxy-2-methylindole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 166353903
diethyl 2,2'-(piperazine-1,4-diyldimethanediyl)bis(6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate)
CID 3390496
9-bromo-2-methoxy-5-(3-pyridylmethyl)-4H-pyrido [3,2,1-jk]carbazole-4-one
CID 19364867
2-[3-[[13-Bromo-4-oxo-3-(pyridin-3-ylmethyl)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-7-yl]oxy]propyl]isoindole-1,3-dione
CID 19364892
9-bromo-2-methoxy-5-(5-methyl-3-pyridylmethyl)-4H-pyrido[3,2,1-jk]carbazole-4-one
CID 19364894
9-bromo-5-methyl-2-(3-pyridylmethyloxy)-4H-pyrido[3,2,1-jk]carbazole-4-one
CID 19364901
2-(5-acetoxymethyl-3-pyridylmethyloxy)-9-bromo-5-(3-pyridylmethyl)-4H-pyrido [3,2,1-jk]carbazole-4-one
CID 19364914
9-bromo-5-(3-pyridylmethyl)-2-(3-pyridylmethyloxy)-4H-pyrido [3,2,1-jk]carbazole-4-one
CID 19364917

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one?
The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one (CID 159394350) is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one.
What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one?
The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one is CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2cc(Br)ccc12.CCCCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(OC)cc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one?
The InChIKey is LMNGNFATMBULFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3.C26H30N2O3.C25H27BrN2O2/c1-3-4-11-28(32)26-21-31(27-13-12-24(34-2)20-25(26)27)17-8-16-30-18-14-23(15-19-30)29(33)22-9-6-5-7-10-22;1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20;1-18(29)23-17-28(24-16-21(26)8-9-22(23)24)13-5-12-27-14-10-20(11-15-27)25(30)19-6-3-2-4-7-19/h5-7,9-10,12-13,20-21,23H,3-4,8,11,14-19H2,1-2H3;3-5,7-10,17-18,21H,6,11-16H2,1-2H3;2-4,6-9,16-17,20H,5,10-15H2,1H3.
What are the key properties of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one?
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one has a molecular weight of 1346.56 g/mol, XLogP of 16.44, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one is sourced from PubChem (CID 159394350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).