4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one

C11H11F2N3O2 — CID 107120303

IUPAC4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one
SMILESNc1cc(F)cc(C(=O)N2CCNC(=O)C2)c1F
InChIInChI=1S/C11H11F2N3O2/c12-6-3-7(10(13)8(14)4-6)11(18)16-2-1-15-9(17)5-16/h3-4H,1-2,5,14H2,(H,15,17)
InChIKeyMPVFTRAGYKLLOO-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.12
Rot. Bonds1

About 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one

4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one (PubChem CID 107120303) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one
PubChem CID107120303
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one
SMILESNc1cc(F)cc(C(=O)N2CCNC(=O)C2)c1F
InChIInChI=1S/C11H11F2N3O2/c12-6-3-7(10(13)8(14)4-6)11(18)16-2-1-15-9(17)5-16/h3-4H,1-2,5,14H2,(H,15,17)
InChIKeyMPVFTRAGYKLLOO-UHFFFAOYSA-N
XLogP0.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one
CID 114034156
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
(3-amino-2,5-difluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 107121558
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one
CID 104585508
(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107120733
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2,5-difluorophenyl)methanone
CID 107120588
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one (CID 107120303) is 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one is Nc1cc(F)cc(C(=O)N2CCNC(=O)C2)c1F.
What is the InChIKey of 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one?
The InChIKey is MPVFTRAGYKLLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-6-3-7(10(13)8(14)4-6)11(18)16-2-1-15-9(17)5-16/h3-4H,1-2,5,14H2,(H,15,17).
What are the key properties of 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one?
4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one has a molecular weight of 255.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one is sourced from PubChem (CID 107120303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).