2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one

C14H15FN2O — CID 82384450

IUPAC2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one
SMILESCC1CC(=O)CC(c2cc3[nH]ccc3cc2F)N1
InChIInChI=1S/C14H15FN2O/c1-8-4-10(18)6-14(17-8)11-7-13-9(2-3-16-13)5-12(11)15/h2-3,5,7-8,14,16-17H,4,6H2,1H3
InChIKeyQABQHHJJLXIECO-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.69
Rot. Bonds1

About 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one

2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one (PubChem CID 82384450) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one
PubChem CID82384450
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one
SMILESCC1CC(=O)CC(c2cc3[nH]ccc3cc2F)N1
InChIInChI=1S/C14H15FN2O/c1-8-4-10(18)6-14(17-8)11-7-13-9(2-3-16-13)5-12(11)15/h2-3,5,7-8,14,16-17H,4,6H2,1H3
InChIKeyQABQHHJJLXIECO-UHFFFAOYSA-N
XLogP2.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 82385180
2-isoquinolin-5-yl-6-methylpiperidin-4-one
CID 82387921
(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
CID 70165727
3,5-dihydro-2H-furo[2,3-f]indol-3-amine
CID 55293450
2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one
CID 82385584
5-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53399661
5-fluoro-1H-indole-6-carbonitrile
CID 67025317
1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
CID 163231265
5-fluoro-6-(1-isocyanatocyclopentyl)-1H-indole
CID 117362425
2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
CID 82401919
5-fluoro-6-(trifluoromethoxy)-1H-indole
CID 142439900
3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide
CID 82973307

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one?
The IUPAC name of 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one (CID 82384450) is 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one.
What is the SMILES notation for 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one?
The canonical SMILES for 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one is CC1CC(=O)CC(c2cc3[nH]ccc3cc2F)N1.
What is the InChIKey of 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one?
The InChIKey is QABQHHJJLXIECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8-4-10(18)6-14(17-8)11-7-13-9(2-3-16-13)5-12(11)15/h2-3,5,7-8,14,16-17H,4,6H2,1H3.
What are the key properties of 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one?
2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one has a molecular weight of 246.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one is sourced from PubChem (CID 82384450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).