4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide

C13H18N4O2 — CID 64693334

IUPAC4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)NN)cc2)CC1=O
InChIInChI=1S/C13H18N4O2/c1-16-6-7-17(9-12(16)18)8-10-2-4-11(5-3-10)13(19)15-14/h2-5H,6-9,14H2,1H3,(H,15,19)
InChIKeyGFXRUPRMMQFNKB-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.44
Rot. Bonds3

About 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide

4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide (PubChem CID 64693334) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
PubChem CID64693334
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)NN)cc2)CC1=O
InChIInChI=1S/C13H18N4O2/c1-16-6-7-17(9-12(16)18)8-10-2-4-11(5-3-10)13(19)15-14/h2-5H,6-9,14H2,1H3,(H,15,19)
InChIKeyGFXRUPRMMQFNKB-UHFFFAOYSA-N
XLogP-0.44
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.44
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

4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one
CID 65490515
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 64693242
CID 163686697
CID 163686697
4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide
CID 143419597
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
CID 79164962
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 64696100
N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 175812419
5-(4-methyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 64693968
2-fluoro-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 107879415
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide (CID 64693334) is 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide is CN1CCN(Cc2ccc(C(=O)NN)cc2)CC1=O.
What is the InChIKey of 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide?
The InChIKey is GFXRUPRMMQFNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-6-7-17(9-12(16)18)8-10-2-4-11(5-3-10)13(19)15-14/h2-5H,6-9,14H2,1H3,(H,15,19).
What are the key properties of 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide?
4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide has a molecular weight of 262.31 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 64693334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).