2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide

C12H15FN4O2 — CID 54936333

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
SMILESNNC(=O)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H15FN4O2/c13-9-3-1-2-4-10(9)16-5-7-17(8-6-16)12(19)11(18)15-14/h1-4H,5-8,14H2,(H,15,18)
InChIKeyMKQBRCBLLVKILM-UHFFFAOYSA-N
MW266.28 g/mol
LogP-0.54
Rot. Bonds1

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide

2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide (PubChem CID 54936333) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
PubChem CID54936333
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
SMILESNNC(=O)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H15FN4O2/c13-9-3-1-2-4-10(9)16-5-7-17(8-6-16)12(19)11(18)15-14/h1-4H,5-8,14H2,(H,15,18)
InChIKeyMKQBRCBLLVKILM-UHFFFAOYSA-N
XLogP-0.54
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
N-(2-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902668
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108528013
N-(2-chloroethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514030
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 3597509
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide (CID 54936333) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide is NNC(=O)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide?
The InChIKey is MKQBRCBLLVKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c13-9-3-1-2-4-10(9)16-5-7-17(8-6-16)12(19)11(18)15-14/h1-4H,5-8,14H2,(H,15,18).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide has a molecular weight of 266.28 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide is sourced from PubChem (CID 54936333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).