2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

C15H17FN2O2 — CID 111425118

IUPAC2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)N1CCC(O)CC1
InChIInChI=1S/C15H17FN2O2/c16-11-1-2-14-13(8-11)10(9-17-14)7-15(20)18-5-3-12(19)4-6-18/h1-2,8-9,12,17,19H,3-7H2
InChIKeyXCYGDWDEXSMJPV-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.83
Rot. Bonds2

About 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 111425118) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID111425118
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)N1CCC(O)CC1
InChIInChI=1S/C15H17FN2O2/c16-11-1-2-14-13(8-11)10(9-17-14)7-15(20)18-5-3-12(19)4-6-18/h1-2,8-9,12,17,19H,3-7H2
InChIKeyXCYGDWDEXSMJPV-UHFFFAOYSA-N
XLogP1.83
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
1-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone
CID 127264792
2-(5-fluoro-1H-indol-3-yl)-1-[4-[[4-[[(2S)-pyrrolidin-2-yl]methylamino]butylamino]methyl]piperidin-1-yl]ethanone
CID 139906828
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 172548059
2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
CID 123386544
1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122013428

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 111425118) is 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(Cc1c[nH]c2ccc(F)cc12)N1CCC(O)CC1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is XCYGDWDEXSMJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-1-2-14-13(8-11)10(9-17-14)7-15(20)18-5-3-12(19)4-6-18/h1-2,8-9,12,17,19H,3-7H2.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 276.31 g/mol, XLogP of 1.83, 2 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-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 111425118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).