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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Related Compounds

1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
CID 113209885
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone
CID 57234124
(5-fluoro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57147611
1-(5-fluoro-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 113208080
ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 938754
1-(5-fluoro-1H-indol-3-yl)-3-methylbut-2-en-1-one
CID 53415736
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
CID 95713749

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).