3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one

C21H20FN3O3 — CID 110425972

IUPAC3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c22-16-7-3-14(4-8-16)19-20(27)23-11-13-25(19)21(28)15-5-9-17(10-6-15)24-12-1-2-18(24)26/h3-10,19H,1-2,11-13H2,(H,23,27)
InChIKeyQKEVMOXIAHDSQH-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.27
Rot. Bonds3

About 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one

3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one (PubChem CID 110425972) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
PubChem CID110425972
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c22-16-7-3-14(4-8-16)19-20(27)23-11-13-25(19)21(28)15-5-9-17(10-6-15)24-12-1-2-18(24)26/h3-10,19H,1-2,11-13H2,(H,23,27)
InChIKeyQKEVMOXIAHDSQH-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425973
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
1-[4-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 75589887
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
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
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one (CID 110425972) is 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one is O=C1NCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
The InChIKey is QKEVMOXIAHDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-16-7-3-14(4-8-16)19-20(27)23-11-13-25(19)21(28)15-5-9-17(10-6-15)24-12-1-2-18(24)26/h3-10,19H,1-2,11-13H2,(H,23,27).
What are the key properties of 3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one has a molecular weight of 381.41 g/mol, XLogP of 2.27, 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-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one is sourced from PubChem (CID 110425972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).