2-(4-acetylpiperazin-1-yl)butanehydrazide

C10H20N4O2 — CID 63568814

IUPAC2-(4-acetylpiperazin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-3-9(10(16)12-11)14-6-4-13(5-7-14)8(2)15/h9H,3-7,11H2,1-2H3,(H,12,16)
InChIKeyPPNNVBQXRZRJOE-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.08
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)butanehydrazide

2-(4-acetylpiperazin-1-yl)butanehydrazide (PubChem CID 63568814) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)butanehydrazide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)butanehydrazide
PubChem CID63568814
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-(4-acetylpiperazin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-3-9(10(16)12-11)14-6-4-13(5-7-14)8(2)15/h9H,3-7,11H2,1-2H3,(H,12,16)
InChIKeyPPNNVBQXRZRJOE-UHFFFAOYSA-N
XLogP-1.08
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.08
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-acetylpiperazin-1-yl)pentanehydrazide
CID 83047028
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
CID 63571373
2-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980111
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940
2-(azocan-1-yl)pentanehydrazide
CID 83047792
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
3-(4-methylpiperazin-1-yl)pentan-2-one
CID 173103294
2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
CID 63584047
ethyl 4-(1-amino-1-sulfanylidenebutan-2-yl)piperazine-1-carboxylate
CID 63344052

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)butanehydrazide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)butanehydrazide (CID 63568814) is 2-(4-acetylpiperazin-1-yl)butanehydrazide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)butanehydrazide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)butanehydrazide is CCC(C(=O)NN)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)butanehydrazide?
The InChIKey is PPNNVBQXRZRJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-9(10(16)12-11)14-6-4-13(5-7-14)8(2)15/h9H,3-7,11H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-acetylpiperazin-1-yl)butanehydrazide?
2-(4-acetylpiperazin-1-yl)butanehydrazide has a molecular weight of 228.30 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)butanehydrazide is sourced from PubChem (CID 63568814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).