[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone

C22H19FN2O2S — CID 122189059

IUPAC[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H19FN2O2S/c23-19-4-1-3-18(15-19)22(27)25-12-10-24(11-13-25)21(26)17-8-6-16(7-9-17)20-5-2-14-28-20/h1-9,14-15H,10-13H2
InChIKeyLBBWEMZHJDSYTR-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.15
Rot. Bonds3

About [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone

[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 122189059) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID122189059
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H19FN2O2S/c23-19-4-1-3-18(15-19)22(27)25-12-10-24(11-13-25)21(26)17-8-6-16(7-9-17)20-5-2-14-28-20/h1-9,14-15H,10-13H2
InChIKeyLBBWEMZHJDSYTR-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone (CID 122189059) is [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is LBBWEMZHJDSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-19-4-1-3-18(15-19)22(27)25-12-10-24(11-13-25)21(26)17-8-6-16(7-9-17)20-5-2-14-28-20/h1-9,14-15H,10-13H2.
What are the key properties of [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 394.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 122189059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).