1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone

C77H87BrN6O7 — CID 157097490

IUPAC1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H30N2O3.C26H30N2O2.C25H27BrN2O2/c1-19(29)23-18-28(25-22(23)10-6-11-24(25)31-2)15-7-14-27-16-12-21(13-17-27)26(30)20-8-4-3-5-9-20;1-2-25(29)23-19-28(24-12-7-6-11-22(23)24)16-8-15-27-17-13-21(14-18-27)26(30)20-9-4-3-5-10-20;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/h3-6,8-11,18,21H,7,12-17H2,1-2H3;3-7,9-12,19,21H,2,8,13-18H2,1H3;2-4,6-9,16-17,20H,5,10-15H2,1H3
InChIKeyAFJMTVJBFJXURR-UHFFFAOYSA-N
MW1288.48 g/mol
LogP15.65
Rot. Bonds23

About 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 157097490) has the molecular formula C77H87BrN6O7 and a molecular weight of 1288.48 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone
PubChem CID157097490
Molecular FormulaC77H87BrN6O7
Molecular Weight1288.48 g/mol
Exact Mass1286.58
IUPAC Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H30N2O3.C26H30N2O2.C25H27BrN2O2/c1-19(29)23-18-28(25-22(23)10-6-11-24(25)31-2)15-7-14-27-16-12-21(13-17-27)26(30)20-8-4-3-5-9-20;1-2-25(29)23-19-28(24-12-7-6-11-22(23)24)16-8-15-27-17-13-21(14-18-27)26(30)20-9-4-3-5-10-20;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/h3-6,8-11,18,21H,7,12-17H2,1-2H3;3-7,9-12,19,21H,2,8,13-18H2,1H3;2-4,6-9,16-17,20H,5,10-15H2,1H3
InChIKeyAFJMTVJBFJXURR-UHFFFAOYSA-N
XLogP15.65
TPSA136.16 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.48
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone with MolForge

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Related Compounds

1-(7-Methoxy-1-methyl-4-phenylselanylindol-3-yl)-2,2-dimethylpropan-1-one
CID 168331724
1-[7-Methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2-phenylethanone
CID 58967608
[1-[3-(3-Benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone
CID 58967718
2-[8-[3-(3-Benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone
CID 58967780
[7-Methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
CID 58968142
[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
CID 58968152
1-[1-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]piperidin-4-yl]-3H-indol-2-one
CID 58968233
1-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]-2-phenylethanone
CID 69448007
[1-[3-[4-(2-Ethylphenyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 71175586
Bis[3-[4-[1-(cyclohexylmethyl)-7-methoxyindole-3-carbonyl]-2-methylpiperazin-1-yl]propoxy]-oxoazanium
CID 90376409
[1-[3-[2-Ethyl-4-(2-phenylethyl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 143503023
2-[8-[3-[3-(Cyclohexa-1,5-diene-1-carbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone
CID 143503313

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone (CID 157097490) is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12.CCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is AFJMTVJBFJXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3.C26H30N2O2.C25H27BrN2O2/c1-19(29)23-18-28(25-22(23)10-6-11-24(25)31-2)15-7-14-27-16-12-21(13-17-27)26(30)20-8-4-3-5-9-20;1-2-25(29)23-19-28(24-12-7-6-11-22(23)24)16-8-15-27-17-13-21(14-18-27)26(30)20-9-4-3-5-10-20;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/h3-6,8-11,18,21H,7,12-17H2,1-2H3;3-7,9-12,19,21H,2,8,13-18H2,1H3;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]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone?
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 1288.48 g/mol, XLogP of 15.65, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 157097490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).