2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone

C20H20FN3O — CID 5309171

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2F)CC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H20FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-6-5-15-7-8-22-18(15)13-16/h1-8,13,22H,9-12,14H2
InChIKeyIJFGUIKQFFJPDS-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone (PubChem CID 5309171) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone
PubChem CID5309171
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2F)CC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H20FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-6-5-15-7-8-22-18(15)13-16/h1-8,13,22H,9-12,14H2
InChIKeyIJFGUIKQFFJPDS-UHFFFAOYSA-N
XLogP3.31
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 82071237
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
CID 20866315
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 45017241
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 60649956
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 2982236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone (CID 5309171) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone is O=C(CN1CCN(c2ccccc2F)CC1)c1ccc2cc[nH]c2c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone?
The InChIKey is IJFGUIKQFFJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-6-5-15-7-8-22-18(15)13-16/h1-8,13,22H,9-12,14H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone?
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone has a molecular weight of 337.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone is sourced from PubChem (CID 5309171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).