N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide

C13H16FN3O3 — CID 43381036

IUPACN-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCNCC2)cc1F
InChIInChI=1S/C13H16FN3O3/c1-20-11-3-2-9(8-10(11)14)16-12(18)13(19)17-6-4-15-5-7-17/h2-3,8,15H,4-7H2,1H3,(H,16,18)
InChIKeyZRXJMWNWMQGKOQ-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.20
Rot. Bonds2

About N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 43381036) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID43381036
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCNCC2)cc1F
InChIInChI=1S/C13H16FN3O3/c1-20-11-3-2-9(8-10(11)14)16-12(18)13(19)17-6-4-15-5-7-17/h2-3,8,15H,4-7H2,1H3,(H,16,18)
InChIKeyZRXJMWNWMQGKOQ-UHFFFAOYSA-N
XLogP0.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
CID 115378763
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
2-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350844
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108501193
2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43145018
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501278

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 43381036) is N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide is COc1ccc(NC(=O)C(=O)N2CCNCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is ZRXJMWNWMQGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-20-11-3-2-9(8-10(11)14)16-12(18)13(19)17-6-4-15-5-7-17/h2-3,8,15H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 281.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43381036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).