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

C24H27FN2O2 — CID 58967643

IUPAC1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C24H27FN2O2/c1-18(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/h2-3,5-10,17,21H,4,11-16H2,1H3
InChIKeyOZUJZTSIDFENQM-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.92
Rot. Bonds7

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]ethanone (PubChem CID 58967643) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
PubChem CID58967643
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C24H27FN2O2/c1-18(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/h2-3,5-10,17,21H,4,11-16H2,1H3
InChIKeyOZUJZTSIDFENQM-UHFFFAOYSA-N
XLogP4.92
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 58967643) is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.
What is the InChIKey of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The InChIKey is OZUJZTSIDFENQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-18(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/h2-3,5-10,17,21H,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]ethanone has a molecular weight of 394.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 58967643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).