1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

C74H85F3N6O7 — CID 157376146

IUPAC1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C25H29FN2O3.C25H29FN2O2.C24H27FN2O2/c1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-2-25(29)23-18-28(24-7-4-3-6-22(23)24)15-5-14-27-16-12-21(13-17-27)30-20-10-8-19(26)9-11-20;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20/h3,5-10,17,21H,4,11-16H2,1-2H3;3-4,6-11,18,21H,2,5,12-17H2,1H3;2-3,5-10,17,21H,4,11-16H2,1H3
InChIKeyBKISJGAKXSIZNL-UHFFFAOYSA-N
MW1227.52 g/mol
LogP15.15
Rot. Bonds23

About 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 157376146) has the molecular formula C74H85F3N6O7 and a molecular weight of 1227.52 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
PubChem CID157376146
Molecular FormulaC74H85F3N6O7
Molecular Weight1227.52 g/mol
Exact Mass1226.64
IUPAC Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C25H29FN2O3.C25H29FN2O2.C24H27FN2O2/c1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-2-25(29)23-18-28(24-7-4-3-6-22(23)24)15-5-14-27-16-12-21(13-17-27)30-20-10-8-19(26)9-11-20;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20/h3,5-10,17,21H,4,11-16H2,1-2H3;3-4,6-11,18,21H,2,5,12-17H2,1H3;2-3,5-10,17,21H,4,11-16H2,1H3
InChIKeyBKISJGAKXSIZNL-UHFFFAOYSA-N
XLogP15.15
TPSA112.64 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.52
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

FUB-PB-22 compound
CID 91936864
3-(4-Morpholinylmethyl)-6-(4-methoxvbenzoyl)-2,3-dihydropyrrolo[1,2,3-de]-1,4-benzoxazine
CID 15030131
[2-Methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-6-ylmethanone
CID 15719111
6-Methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one
CID 10939965
(4-Methoxyphenyl)-[1-(oxan-4-ylmethyl)-7-phenylmethoxyindol-3-yl]methanone
CID 145979159
Methyl 2-[4-[1-fluoro-3-[2-(5-fluoro-1-methylindol-3-yl)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexyl]acetate
CID 17859544
1-[1-[3-[4-(4-Fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641347
1-(3-(4-(4-fluorophenoxy)piperidin-1-yl)propyl 7-methoxy-1H-indol-3-yl)ethanone
CID 23642093
2-[4-[[(2S,4S)-4-fluoro-1-[2-[2-(5-fluoro-1-methylindol-3-yl)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexyl]acetic acid
CID 58778399
methyl 4-[[(2S)-1-[2-[2-(6-fluoro-1-methylindol-3-yl)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778502
methyl 4-[[(2S,4S)-4-fluoro-1-[2-[7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778570
methyl 4-[[(2S,4S)-4-fluoro-1-[2-[2-(5-fluoro-1-methylindol-3-yl)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778954

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 157376146) is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.
What is the InChIKey of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is BKISJGAKXSIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3.C25H29FN2O2.C24H27FN2O2/c1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-2-25(29)23-18-28(24-7-4-3-6-22(23)24)15-5-14-27-16-12-21(13-17-27)30-20-10-8-19(26)9-11-20;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20/h3,5-10,17,21H,4,11-16H2,1-2H3;3-4,6-11,18,21H,2,5,12-17H2,1H3;2-3,5-10,17,21H,4,11-16H2,1H3.
What are the key properties of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 1227.52 g/mol, XLogP of 15.15, 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-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 157376146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).