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

C13H26N4O2 — CID 76925035

IUPACN'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide
SMILESCCCC(C(=O)N1CCN(CCC)CC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-3-5-11(12(14)15-19)13(18)17-9-7-16(6-4-2)8-10-17/h11,19H,3-10H2,1-2H3,(H2,14,15)
InChIKeyLZXFQENEQBSXGG-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.70
Rot. Bonds6

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

N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide (PubChem CID 76925035) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide
PubChem CID76925035
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide
SMILESCCCC(C(=O)N1CCN(CCC)CC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-3-5-11(12(14)15-19)13(18)17-9-7-16(6-4-2)8-10-17/h11,19H,3-10H2,1-2H3,(H2,14,15)
InChIKeyLZXFQENEQBSXGG-UHFFFAOYSA-N
XLogP0.70
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.70
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-propylpiperazine-1-carbonyl)pentanimidamide?
The IUPAC name of N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide (CID 76925035) is N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide is CCCC(C(=O)N1CCN(CCC)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide?
The InChIKey is LZXFQENEQBSXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-5-11(12(14)15-19)13(18)17-9-7-16(6-4-2)8-10-17/h11,19H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide?
N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide has a molecular weight of 270.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-propylpiperazine-1-carbonyl)pentanimidamide is sourced from PubChem (CID 76925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).