1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone

C17H21FN2O — CID 117098731

IUPAC1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2CCCCC2)c2ccc(F)cc12
InChIInChI=1S/C17H21FN2O/c1-13(21)16-12-20(10-9-19-7-3-2-4-8-19)17-6-5-14(18)11-15(16)17/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyZJVCXLOJUDLPCO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.47
Rot. Bonds4

About 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone

1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone (PubChem CID 117098731) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone
PubChem CID117098731
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2CCCCC2)c2ccc(F)cc12
InChIInChI=1S/C17H21FN2O/c1-13(21)16-12-20(10-9-19-7-3-2-4-8-19)17-6-5-14(18)11-15(16)17/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyZJVCXLOJUDLPCO-UHFFFAOYSA-N
XLogP3.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 117098609
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
1-[1-(2,3-dihydroxypropyl)-5-fluoroindol-3-yl]ethanone
CID 117098722
5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
CID 50916158
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537904
5-fluoro-1-octyl-3-(pyrrolidin-1-ylmethyl)indole
CID 50916342
1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone
CID 118447151
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
3-acetyl-1-(2-fluoroethyl)indole-5-carbonitrile
CID 118447182
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568
1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone?
The IUPAC name of 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone (CID 117098731) is 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone is CC(=O)c1cn(CCN2CCCCC2)c2ccc(F)cc12.
What is the InChIKey of 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone?
The InChIKey is ZJVCXLOJUDLPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-13(21)16-12-20(10-9-19-7-3-2-4-8-19)17-6-5-14(18)11-15(16)17/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone?
1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone has a molecular weight of 288.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone is sourced from PubChem (CID 117098731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).