3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one

C18H21FN4O — CID 56817499

IUPAC3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-14(15-2-4-16(19)5-3-15)12-18(24)23-10-8-22(9-11-23)17-13-20-6-7-21-17/h2-7,13-14H,8-12H2,1H3
InChIKeyTWUBONATMAWJDF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.46
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one

3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 56817499) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID56817499
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-14(15-2-4-16(19)5-3-15)12-18(24)23-10-8-22(9-11-23)17-13-20-6-7-21-17/h2-7,13-14H,8-12H2,1H3
InChIKeyTWUBONATMAWJDF-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (CID 56817499) is 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one is CC(CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is TWUBONATMAWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-14(15-2-4-16(19)5-3-15)12-18(24)23-10-8-22(9-11-23)17-13-20-6-7-21-17/h2-7,13-14H,8-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 328.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 56817499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).