2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone

C20H20FN3O — CID 913234

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20FN3O/c21-15-5-7-16(8-6-15)24-11-9-23(10-12-24)14-20(25)18-13-22-19-4-2-1-3-17(18)19/h1-8,13,22H,9-12,14H2
InChIKeyQBWNGTWXGQYDDV-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (PubChem CID 913234) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
PubChem CID913234
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20FN3O/c21-15-5-7-16(8-6-15)24-11-9-23(10-12-24)14-20(25)18-13-22-19-4-2-1-3-17(18)19/h1-8,13,22H,9-12,14H2
InChIKeyQBWNGTWXGQYDDV-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

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone
CID 170857791
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 945225
4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
CID 26304691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (CID 913234) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone is O=C(CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is QBWNGTWXGQYDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-15-5-7-16(8-6-15)24-11-9-23(10-12-24)14-20(25)18-13-22-19-4-2-1-3-17(18)19/h1-8,13,22H,9-12,14H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-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-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 913234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).