2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone

C17H20FN3O — CID 53147938

IUPAC2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O/c1-19-9-11-20(12-10-19)17(22)13-16-3-2-8-21(16)15-6-4-14(18)5-7-15/h2-8H,9-13H2,1H3
InChIKeyNGRFJMURXVQWKL-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.93
Rot. Bonds3

About 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 53147938) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID53147938
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O/c1-19-9-11-20(12-10-19)17(22)13-16-3-2-8-21(16)15-6-4-14(18)5-7-15/h2-8H,9-13H2,1H3
InChIKeyNGRFJMURXVQWKL-UHFFFAOYSA-N
XLogP1.93
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 53147938) is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is NGRFJMURXVQWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-19-9-11-20(12-10-19)17(22)13-16-3-2-8-21(16)15-6-4-14(18)5-7-15/h2-8H,9-13H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 301.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53147938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).