4-(3-methylphenyl)piperazine-1-carbohydrazide

C12H18N4O — CID 43163880

IUPAC4-(3-methylphenyl)piperazine-1-carbohydrazide
SMILESCc1cccc(N2CCN(C(=O)NN)CC2)c1
InChIInChI=1S/C12H18N4O/c1-10-3-2-4-11(9-10)15-5-7-16(8-6-15)12(17)14-13/h2-4,9H,5-8,13H2,1H3,(H,14,17)
InChIKeyIFRFVOKUUBZPFX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.70
Rot. Bonds1

About 4-(3-methylphenyl)piperazine-1-carbohydrazide

4-(3-methylphenyl)piperazine-1-carbohydrazide (PubChem CID 43163880) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(3-methylphenyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound Name4-(3-methylphenyl)piperazine-1-carbohydrazide
PubChem CID43163880
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(3-methylphenyl)piperazine-1-carbohydrazide
SMILESCc1cccc(N2CCN(C(=O)NN)CC2)c1
InChIInChI=1S/C12H18N4O/c1-10-3-2-4-11(9-10)15-5-7-16(8-6-15)12(17)14-13/h2-4,9H,5-8,13H2,1H3,(H,14,17)
InChIKeyIFRFVOKUUBZPFX-UHFFFAOYSA-N
XLogP0.70
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.70
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

2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide
CID 108874685
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 127565527
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)piperazine-1-carbohydrazide?
The IUPAC name of 4-(3-methylphenyl)piperazine-1-carbohydrazide (CID 43163880) is 4-(3-methylphenyl)piperazine-1-carbohydrazide.
What is the SMILES notation for 4-(3-methylphenyl)piperazine-1-carbohydrazide?
The canonical SMILES for 4-(3-methylphenyl)piperazine-1-carbohydrazide is Cc1cccc(N2CCN(C(=O)NN)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)piperazine-1-carbohydrazide?
The InChIKey is IFRFVOKUUBZPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10-3-2-4-11(9-10)15-5-7-16(8-6-15)12(17)14-13/h2-4,9H,5-8,13H2,1H3,(H,14,17).
What are the key properties of 4-(3-methylphenyl)piperazine-1-carbohydrazide?
4-(3-methylphenyl)piperazine-1-carbohydrazide has a molecular weight of 234.30 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 43163880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).