4-(2-fluorobenzoyl)piperazine-1-carbohydrazide

C12H15FN4O2 — CID 82304393

IUPAC4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
SMILESNNC(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C12H15FN4O2/c13-10-4-2-1-3-9(10)11(18)16-5-7-17(8-6-16)12(19)15-14/h1-4H,5-8,14H2,(H,15,19)
InChIKeyPFFJMFAUJZXKBO-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.17
Rot. Bonds1

About 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide

4-(2-fluorobenzoyl)piperazine-1-carbohydrazide (PubChem CID 82304393) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound Name4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
PubChem CID82304393
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
SMILESNNC(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C12H15FN4O2/c13-10-4-2-1-3-9(10)11(18)16-5-7-17(8-6-16)12(19)15-14/h1-4H,5-8,14H2,(H,15,19)
InChIKeyPFFJMFAUJZXKBO-UHFFFAOYSA-N
XLogP0.17
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
N-(2-tert-butylsulfanylethyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 86884511
methyl 4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798338
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 87039063
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide?
The IUPAC name of 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide (CID 82304393) is 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide.
What is the SMILES notation for 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide?
The canonical SMILES for 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide is NNC(=O)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide?
The InChIKey is PFFJMFAUJZXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c13-10-4-2-1-3-9(10)11(18)16-5-7-17(8-6-16)12(19)15-14/h1-4H,5-8,14H2,(H,15,19).
What are the key properties of 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide?
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide has a molecular weight of 266.28 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzoyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 82304393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).