1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone

C15H19FN2O — CID 123144780

IUPAC1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3c2=CCC(F)C=3)CC1
InChIInChI=1S/C15H19FN2O/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15/h3,8-9,11-12,17H,2,4-7H2,1H3
InChIKeyGWHWHMYUBGKMMD-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.04
Rot. Bonds1

About 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone

1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 123144780) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID123144780
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3c2=CCC(F)C=3)CC1
InChIInChI=1S/C15H19FN2O/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15/h3,8-9,11-12,17H,2,4-7H2,1H3
InChIKeyGWHWHMYUBGKMMD-UHFFFAOYSA-N
XLogP1.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 123144780) is 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2c[nH]c3c2=CCC(F)C=3)CC1.
What is the InChIKey of 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is GWHWHMYUBGKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15/h3,8-9,11-12,17H,2,4-7H2,1H3.
What are the key properties of 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 262.33 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 123144780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).