3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide

C11H22N4O2 — CID 2759391

IUPAC3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(2)8-14-3-5-15(6-4-14)11(17)7-10(16)13-12/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyGRNMHENFRWJQQZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.83
Rot. Bonds4

About 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide

3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide (PubChem CID 2759391) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide
PubChem CID2759391
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(2)8-14-3-5-15(6-4-14)11(17)7-10(16)13-12/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyGRNMHENFRWJQQZ-UHFFFAOYSA-N
XLogP-0.83
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide?
The IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide (CID 2759391) is 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide?
The canonical SMILES for 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide is CC(C)CN1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide?
The InChIKey is GRNMHENFRWJQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(2)8-14-3-5-15(6-4-14)11(17)7-10(16)13-12/h9H,3-8,12H2,1-2H3,(H,13,16).
What are the key properties of 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide?
3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide has a molecular weight of 242.32 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanehydrazide is sourced from PubChem (CID 2759391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).