3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one

C20H23FN2O2 — CID 129115162

IUPAC3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2C3CC4CC(O)(C3)CC42)c2c(F)cccc21
InChIInChI=1S/C20H23FN2O2/c1-22-11-12(19-15(21)3-2-4-16(19)22)5-6-18(24)23-14-7-13-8-20(25,9-14)10-17(13)23/h2-4,11,13-14,17,25H,5-10H2,1H3
InChIKeyURNSEMIPOPMTPP-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.76
Rot. Bonds3

About 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one

3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one (PubChem CID 129115162) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one
PubChem CID129115162
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2C3CC4CC(O)(C3)CC42)c2c(F)cccc21
InChIInChI=1S/C20H23FN2O2/c1-22-11-12(19-15(21)3-2-4-16(19)22)5-6-18(24)23-14-7-13-8-20(25,9-14)10-17(13)23/h2-4,11,13-14,17,25H,5-10H2,1H3
InChIKeyURNSEMIPOPMTPP-UHFFFAOYSA-N
XLogP2.76
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one?
The IUPAC name of 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one (CID 129115162) is 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one?
The canonical SMILES for 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one is Cn1cc(CCC(=O)N2C3CC4CC(O)(C3)CC42)c2c(F)cccc21.
What is the InChIKey of 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one?
The InChIKey is URNSEMIPOPMTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-22-11-12(19-15(21)3-2-4-16(19)22)5-6-18(24)23-14-7-13-8-20(25,9-14)10-17(13)23/h2-4,11,13-14,17,25H,5-10H2,1H3.
What are the key properties of 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one?
3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one has a molecular weight of 342.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-methylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.03,7]nonan-2-yl)propan-1-one is sourced from PubChem (CID 129115162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).