N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide

C11H22N4O2 — CID 60727655

IUPACN'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide
SMILESCC(C)CC(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C11H22N4O2/c1-9(2)7-11(16)15-5-3-14(4-6-15)8-10(12)13-17/h9,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyNBJCCBSIAZCPRV-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds4

About N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide (PubChem CID 60727655) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide
PubChem CID60727655
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide
SMILESCC(C)CC(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C11H22N4O2/c1-9(2)7-11(16)15-5-3-14(4-6-15)8-10(12)13-17/h9,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyNBJCCBSIAZCPRV-UHFFFAOYSA-N
XLogP-0.08
TPSA82.16 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 ≤ 5-0.08
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-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide (CID 60727655) is N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide is CC(C)CC(=O)N1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide?
The InChIKey is NBJCCBSIAZCPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(2)7-11(16)15-5-3-14(4-6-15)8-10(12)13-17/h9,17H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide has a molecular weight of 242.32 g/mol, XLogP of -0.08, 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-(3-methylbutanoyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 60727655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).