4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide

C11H22N4O2 — CID 4740438

IUPAC4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide
SMILESCC(C)N1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(2)14-5-7-15(8-6-14)11(17)4-3-10(16)13-12/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyATSKXMUHOQRYSA-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.69
Rot. Bonds4

About 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide

4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide (PubChem CID 4740438) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide
PubChem CID4740438
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide
SMILESCC(C)N1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(2)14-5-7-15(8-6-14)11(17)4-3-10(16)13-12/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyATSKXMUHOQRYSA-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
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-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide?
The IUPAC name of 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide (CID 4740438) is 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide.
What is the SMILES notation for 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide?
The canonical SMILES for 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide is CC(C)N1CCN(C(=O)CCC(=O)NN)CC1.
What is the InChIKey of 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide?
The InChIKey is ATSKXMUHOQRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(2)14-5-7-15(8-6-14)11(17)4-3-10(16)13-12/h9H,3-8,12H2,1-2H3,(H,13,16).
What are the key properties of 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide?
4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide has a molecular weight of 242.32 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide is sourced from PubChem (CID 4740438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).