2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide

C13H24N4O2 — CID 76925389

IUPAC2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCN(C2CC2)CC1)C(N)=NO
InChIInChI=1S/C13H24N4O2/c1-9(2)11(12(14)15-19)13(18)17-7-5-16(6-8-17)10-3-4-10/h9-11,19H,3-8H2,1-2H3,(H2,14,15)
InChIKeyKURUISOMHUBMHQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.31
Rot. Bonds4

About 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide

2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide (PubChem CID 76925389) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
PubChem CID76925389
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCN(C2CC2)CC1)C(N)=NO
InChIInChI=1S/C13H24N4O2/c1-9(2)11(12(14)15-19)13(18)17-7-5-16(6-8-17)10-3-4-10/h9-11,19H,3-8H2,1-2H3,(H2,14,15)
InChIKeyKURUISOMHUBMHQ-UHFFFAOYSA-N
XLogP0.31
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
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 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide (CID 76925389) is 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide is CC(C)C(C(=O)N1CCN(C2CC2)CC1)C(N)=NO.
What is the InChIKey of 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is KURUISOMHUBMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)11(12(14)15-19)13(18)17-7-5-16(6-8-17)10-3-4-10/h9-11,19H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide?
2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 268.36 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 2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 76925389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).