1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione

C11H10F2N2O2 — CID 82929589

IUPAC1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O2/c12-8-2-1-7(3-9(8)13)6-15-10(16)4-14-5-11(15)17/h1-3,14H,4-6H2
InChIKeyOXDZWJSEBLAZOD-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.42
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione

1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione (PubChem CID 82929589) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione
PubChem CID82929589
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O2/c12-8-2-1-7(3-9(8)13)6-15-10(16)4-14-5-11(15)17/h1-3,14H,4-6H2
InChIKeyOXDZWJSEBLAZOD-UHFFFAOYSA-N
XLogP0.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]piperazine-2,6-dione
CID 103040926
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 54965624
1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione
CID 66063422
1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one
CID 19599740
5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107881941
2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 82930927
1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
CID 79515942
3-[(3,4-difluorophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 78797815
(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042179
1-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 82930055
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107881969

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione (CID 82929589) is 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione is O=C1CNCC(=O)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione?
The InChIKey is OXDZWJSEBLAZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-8-2-1-7(3-9(8)13)6-15-10(16)4-14-5-11(15)17/h1-3,14H,4-6H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione?
1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione has a molecular weight of 240.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 82929589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).