4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide

C9H18N4O2 — CID 4740807

IUPAC4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide
SMILESCN1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C9H18N4O2/c1-12-4-6-13(7-5-12)9(15)3-2-8(14)11-10/h2-7,10H2,1H3,(H,11,14)
InChIKeySBBPZNMYLHAWOV-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.47
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide

4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide (PubChem CID 4740807) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide
PubChem CID4740807
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide
SMILESCN1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C9H18N4O2/c1-12-4-6-13(7-5-12)9(15)3-2-8(14)11-10/h2-7,10H2,1H3,(H,11,14)
InChIKeySBBPZNMYLHAWOV-UHFFFAOYSA-N
XLogP-1.47
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.47
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 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide (CID 4740807) is 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide is CN1CCN(C(=O)CCC(=O)NN)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide?
The InChIKey is SBBPZNMYLHAWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-12-4-6-13(7-5-12)9(15)3-2-8(14)11-10/h2-7,10H2,1H3,(H,11,14).
What are the key properties of 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide?
4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide has a molecular weight of 214.27 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-4-oxobutanehydrazide is sourced from PubChem (CID 4740807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).