1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone

C15H16FN3O2 — CID 113205617

IUPAC1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H16FN3O2/c1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-3-2-11(16)8-12(13)14/h2-3,8-9,17H,4-7H2,1H3
InChIKeyRESOKRFFTWDIAG-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.61
Rot. Bonds1

About 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 113205617) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID113205617
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H16FN3O2/c1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-3-2-11(16)8-12(13)14/h2-3,8-9,17H,4-7H2,1H3
InChIKeyRESOKRFFTWDIAG-UHFFFAOYSA-N
XLogP1.61
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone (CID 113205617) is 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RESOKRFFTWDIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-3-2-11(16)8-12(13)14/h2-3,8-9,17H,4-7H2,1H3.
What are the key properties of 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 289.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113205617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).