3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide

C10H20N4O2 — CID 63570059

IUPAC3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide
SMILESCC(=O)N1CCN(CC(C)C(=O)NN)CC1
InChIInChI=1S/C10H20N4O2/c1-8(10(16)12-11)7-13-3-5-14(6-4-13)9(2)15/h8H,3-7,11H2,1-2H3,(H,12,16)
InChIKeyCQQGLJWOEAIXQM-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.22
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide

3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide (PubChem CID 63570059) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide
PubChem CID63570059
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide
SMILESCC(=O)N1CCN(CC(C)C(=O)NN)CC1
InChIInChI=1S/C10H20N4O2/c1-8(10(16)12-11)7-13-3-5-14(6-4-13)9(2)15/h8H,3-7,11H2,1-2H3,(H,12,16)
InChIKeyCQQGLJWOEAIXQM-UHFFFAOYSA-N
XLogP-1.22
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 ≤ 5-1.22
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide (CID 63570059) is 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide is CC(=O)N1CCN(CC(C)C(=O)NN)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide?
The InChIKey is CQQGLJWOEAIXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(10(16)12-11)7-13-3-5-14(6-4-13)9(2)15/h8H,3-7,11H2,1-2H3,(H,12,16).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide?
3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide has a molecular weight of 228.30 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-2-methylpropanehydrazide is sourced from PubChem (CID 63570059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).