N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide

C11H22N4O2 — CID 76925277

IUPACN'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide
SMILESCCCC(C(=O)N1CCN(C)CC1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-3-4-9(10(12)13-17)11(16)15-7-5-14(2)6-8-15/h9,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyYNWLSJMJILDEMP-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds4

About N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide

N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide (PubChem CID 76925277) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide
PubChem CID76925277
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide
SMILESCCCC(C(=O)N1CCN(C)CC1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-3-4-9(10(12)13-17)11(16)15-7-5-14(2)6-8-15/h9,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyYNWLSJMJILDEMP-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-methylpiperazine-1-carbonyl)pentanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide (CID 76925277) is N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide is CCCC(C(=O)N1CCN(C)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide?
The InChIKey is YNWLSJMJILDEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-4-9(10(12)13-17)11(16)15-7-5-14(2)6-8-15/h9,17H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide?
N'-hydroxy-2-(4-methylpiperazine-1-carbonyl)pentanimidamide 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-methylpiperazine-1-carbonyl)pentanimidamide is sourced from PubChem (CID 76925277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).