N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide

C11H11FN4O4 — CID 107437353

IUPACN-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)CN1
InChIInChI=1S/C11H11FN4O4/c12-7-3-6(1-2-9(7)16(19)20)15-11(18)8-4-14-10(17)5-13-8/h1-3,8,13H,4-5H2,(H,14,17)(H,15,18)
InChIKeyCJEHJTIXZVPINT-UHFFFAOYSA-N
MW282.23 g/mol
LogP-0.24
Rot. Bonds3

About N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide

N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107437353) has the molecular formula C11H11FN4O4 and a molecular weight of 282.23 g/mol. Its IUPAC name is N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107437353
Molecular FormulaC11H11FN4O4
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC NameN-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)CN1
InChIInChI=1S/C11H11FN4O4/c12-7-3-6(1-2-9(7)16(19)20)15-11(18)8-4-14-10(17)5-13-8/h1-3,8,13H,4-5H2,(H,14,17)(H,15,18)
InChIKeyCJEHJTIXZVPINT-UHFFFAOYSA-N
XLogP-0.24
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43708447
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981663
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide (CID 107437353) is N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)CN1.
What is the InChIKey of N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is CJEHJTIXZVPINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O4/c12-7-3-6(1-2-9(7)16(19)20)15-11(18)8-4-14-10(17)5-13-8/h1-3,8,13H,4-5H2,(H,14,17)(H,15,18).
What are the key properties of N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide?
N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 282.23 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).