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

C21H20FN3O3 — CID 110425973

IUPAC3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c22-16-8-6-14(7-9-16)19-20(27)23-10-12-25(19)21(28)15-3-1-4-17(13-15)24-11-2-5-18(24)26/h1,3-4,6-9,13,19H,2,5,10-12H2,(H,23,27)
InChIKeyYVRJURSRULALAJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.27
Rot. Bonds3

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

3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one (PubChem CID 110425973) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
PubChem CID110425973
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c22-16-8-6-14(7-9-16)19-20(27)23-10-12-25(19)21(28)15-3-1-4-17(13-15)24-11-2-5-18(24)26/h1,3-4,6-9,13,19H,2,5,10-12H2,(H,23,27)
InChIKeyYVRJURSRULALAJ-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

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Related Compounds

3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425972
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
(3R)-3-(4-fluorophenyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-2-one
CID 95121941
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 120730632
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 120802376
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644743
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
CID 50951502
1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110308578

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one (CID 110425973) is 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one is O=C1NCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
The InChIKey is YVRJURSRULALAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-16-8-6-14(7-9-16)19-20(27)23-10-12-25(19)21(28)15-3-1-4-17(13-15)24-11-2-5-18(24)26/h1,3-4,6-9,13,19H,2,5,10-12H2,(H,23,27).
What are the key properties of 3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one?
3-(4-fluorophenyl)-4-[3-(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-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one is sourced from PubChem (CID 110425973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).