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

C78H93F3N6O9 — CID 161193435

IUPAC1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c2c1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C28H35FN2O3.2C25H29FN2O3/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20/h7-12,19-20,23H,3-6,13-18H2,1-2H3;2*4-9,16-17,21H,3,10-15H2,1-2H3
InChIKeyUUAIHIJXFVWOKM-UHFFFAOYSA-N
MW1315.63 g/mol
LogP15.95
Rot. Bonds27

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

1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one (PubChem CID 161193435) has the molecular formula C78H93F3N6O9 and a molecular weight of 1315.63 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
PubChem CID161193435
Molecular FormulaC78H93F3N6O9
Molecular Weight1315.63 g/mol
Exact Mass1314.70
IUPAC Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c2c1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C28H35FN2O3.2C25H29FN2O3/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20/h7-12,19-20,23H,3-6,13-18H2,1-2H3;2*4-9,16-17,21H,3,10-15H2,1-2H3
InChIKeyUUAIHIJXFVWOKM-UHFFFAOYSA-N
XLogP15.95
TPSA131.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.63
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Launch Full Analysis

Related Compounds

5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)furan-2-yl]-1-methylindole
CID 45028187
(4-Methoxyphenyl)-[1-(oxan-4-ylmethyl)-5-propoxyindol-3-yl]methanone
CID 145990912
N-[(3,4-difluorophenyl)methyl]-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
CID 59762425
N-(3,4-difluorobenzyl)-6-isopropoxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxamide
CID 59762441
(4-Methoxyphenyl)-[1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]methanone
CID 145986789
(4-Methoxyphenyl)-[1-(oxolan-3-ylmethyl)-5-phenylmethoxyindol-3-yl]methanone
CID 145989072
(4-Fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone
CID 11624978
1-[1-[3-[4-(4-Fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641347
1-[1-[3-[4-(4-Fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone
CID 23641400
1-[6-Cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
CID 58104075
3-(3,4-Difluorophenyl)-1-[2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one
CID 58104084
3-(3,4-Difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one
CID 58104088

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
The IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one (CID 161193435) is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one.
What is the SMILES notation for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
The canonical SMILES for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one is CCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c2c1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
The InChIKey is UUAIHIJXFVWOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O3.2C25H29FN2O3/c1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20/h7-12,19-20,23H,3-6,13-18H2,1-2H3;2*4-9,16-17,21H,3,10-15H2,1-2H3.
What are the key properties of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one?
1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one has a molecular weight of 1315.63 g/mol, XLogP of 15.95, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one is sourced from PubChem (CID 161193435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).