N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide

C13H13FN4O2 — CID 43580810

IUPACN-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESN#Cc1c(F)cccc1NC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C13H13FN4O2/c14-10-2-1-3-11(9(10)8-15)17-12(19)13(20)18-6-4-16-5-7-18/h1-3,16H,4-7H2,(H,17,19)
InChIKeyQRFYLFKAWFGMOD-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.07
Rot. Bonds1

About N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 43580810) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID43580810
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESN#Cc1c(F)cccc1NC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C13H13FN4O2/c14-10-2-1-3-11(9(10)8-15)17-12(19)13(20)18-6-4-16-5-7-18/h1-3,16H,4-7H2,(H,17,19)
InChIKeyQRFYLFKAWFGMOD-UHFFFAOYSA-N
XLogP0.07
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.07
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

2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 43327572
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 43580810) is N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide is N#Cc1c(F)cccc1NC(=O)C(=O)N1CCNCC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is QRFYLFKAWFGMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-10-2-1-3-11(9(10)8-15)17-12(19)13(20)18-6-4-16-5-7-18/h1-3,16H,4-7H2,(H,17,19).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 276.27 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43580810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).