2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide

C12H17ClN4O — CID 12578869

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN4O/c13-10-2-1-3-11(8-10)17-6-4-16(5-7-17)9-12(18)15-14/h1-3,8H,4-7,9,14H2,(H,15,18)
InChIKeyXKQMHWIPMAJEOX-UHFFFAOYSA-N
MW268.75 g/mol
LogP0.45
Rot. Bonds3

About 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide

2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide (PubChem CID 12578869) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
PubChem CID12578869
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN4O/c13-10-2-1-3-11(8-10)17-6-4-16(5-7-17)9-12(18)15-14/h1-3,8H,4-7,9,14H2,(H,15,18)
InChIKeyXKQMHWIPMAJEOX-UHFFFAOYSA-N
XLogP0.45
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 25333150
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide (CID 12578869) is 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide is NNC(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide?
The InChIKey is XKQMHWIPMAJEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-10-2-1-3-11(8-10)17-6-4-16(5-7-17)9-12(18)15-14/h1-3,8H,4-7,9,14H2,(H,15,18).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide?
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide has a molecular weight of 268.75 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide is sourced from PubChem (CID 12578869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).