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

C15H18FN3O — CID 110700238

IUPAC2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H18FN3O/c1-18-4-6-19(7-5-18)15(20)8-11-10-17-14-3-2-12(16)9-13(11)14/h2-3,9-10,17H,4-8H2,1H3
InChIKeyWUFIPAHBFVLSBI-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.62
Rot. Bonds2

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

2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 110700238) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID110700238
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H18FN3O/c1-18-4-6-19(7-5-18)15(20)8-11-10-17-14-3-2-12(16)9-13(11)14/h2-3,9-10,17H,4-8H2,1H3
InChIKeyWUFIPAHBFVLSBI-UHFFFAOYSA-N
XLogP1.62
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
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-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
CID 123386544
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113209348
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
2-(5-fluoro-1H-indol-3-yl)-1-[4-[[4-[[(2S)-pyrrolidin-2-yl]methylamino]butylamino]methyl]piperidin-1-yl]ethanone
CID 139906828

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 110700238) is 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WUFIPAHBFVLSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-18-4-6-19(7-5-18)15(20)8-11-10-17-14-3-2-12(16)9-13(11)14/h2-3,9-10,17H,4-8H2,1H3.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 275.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 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-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110700238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).