3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide

C11H22N4O2 — CID 55031709

IUPAC3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCC(C)(C)N1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)15-6-4-14(5-7-15)10(16)8-9(12)13-17/h17H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHLEIWSYEEMLDMW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.07
Rot. Bonds2

About 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide

3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide (PubChem CID 55031709) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
PubChem CID55031709
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCC(C)(C)N1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)15-6-4-14(5-7-15)10(16)8-9(12)13-17/h17H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHLEIWSYEEMLDMW-UHFFFAOYSA-N
XLogP0.07
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide (CID 55031709) is 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide is CC(C)(C)N1CCN(C(=O)CC(N)=NO)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is HLEIWSYEEMLDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,3)15-6-4-14(5-7-15)10(16)8-9(12)13-17/h17H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 242.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 55031709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).