1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone

C25H29FN2O3 — CID 23641400

IUPAC1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H29FN2O3/c1-18(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/h4-9,16-17,21H,3,10-15H2,1-2H3
InChIKeyLAUWEWVHWUTCOF-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.93
Rot. Bonds8

About 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]-6-methoxyindol-3-yl]ethanone (PubChem CID 23641400) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone
PubChem CID23641400
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H29FN2O3/c1-18(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/h4-9,16-17,21H,3,10-15H2,1-2H3
InChIKeyLAUWEWVHWUTCOF-UHFFFAOYSA-N
XLogP4.93
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone (CID 23641400) is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone is COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone?
The InChIKey is LAUWEWVHWUTCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-18(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/h4-9,16-17,21H,3,10-15H2,1-2H3.
What are the key properties of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone?
1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone has a molecular weight of 424.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 23641400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).