N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide

C12H24N4O2 — CID 55220131

IUPACN'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide
SMILESCCC(/C(N)=N/O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-4-10(11(13)14-18)15-5-7-16(8-6-15)12(17)9(2)3/h9-10,18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyIHWLRGCYQYMDEJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.31
Rot. Bonds4

About N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide

N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide (PubChem CID 55220131) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide
PubChem CID55220131
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide
SMILESCCC(/C(N)=N/O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-4-10(11(13)14-18)15-5-7-16(8-6-15)12(17)9(2)3/h9-10,18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyIHWLRGCYQYMDEJ-UHFFFAOYSA-N
XLogP0.31
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.31
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 N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide (CID 55220131) is N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide is CCC(/C(N)=N/O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide?
The InChIKey is IHWLRGCYQYMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-10(11(13)14-18)15-5-7-16(8-6-15)12(17)9(2)3/h9-10,18H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide has a molecular weight of 256.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-methylpropanoyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 55220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).