3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one

C21H18FN3O2 — CID 110425971

IUPAC3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(-n3cccc3)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O2/c22-17-7-3-15(4-8-17)19-20(26)23-11-14-25(19)21(27)16-5-9-18(10-6-16)24-12-1-2-13-24/h1-10,12-13,19H,11,14H2,(H,23,26)
InChIKeyFFLKJKPYIKMYAN-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one

3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one (PubChem CID 110425971) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
PubChem CID110425971
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(-n3cccc3)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O2/c22-17-7-3-15(4-8-17)19-20(26)23-11-14-25(19)21(27)16-5-9-18(10-6-16)24-12-1-2-13-24/h1-10,12-13,19H,11,14H2,(H,23,26)
InChIKeyFFLKJKPYIKMYAN-UHFFFAOYSA-N
XLogP2.93
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425972
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425973
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110669931
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110669930
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
CID 50951502

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one (CID 110425971) is 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccc(-n3cccc3)cc2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
The InChIKey is FFLKJKPYIKMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-17-7-3-15(4-8-17)19-20(26)23-11-14-25(19)21(27)16-5-9-18(10-6-16)24-12-1-2-13-24/h1-10,12-13,19H,11,14H2,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one has a molecular weight of 363.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 110425971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).