N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide

C11H22N6O2 — CID 143800357

IUPACN'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide
SMILES[H]/N=C/C(CCN1CCN(CC/C(N)=N/O)CC1)=N\O
InChIInChI=1S/C11H22N6O2/c12-9-10(14-18)1-3-16-5-7-17(8-6-16)4-2-11(13)15-19/h9,12,18-19H,1-8H2,(H2,13,15)/b12-9+,14-10-
InChIKeyAJNYEIISCRXELS-FNIWZSMSSA-N
MW270.34 g/mol
LogP-0.39
Rot. Bonds7

About N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide

N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide (PubChem CID 143800357) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide
PubChem CID143800357
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC NameN'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide
SMILES[H]/N=C/C(CCN1CCN(CC/C(N)=N/O)CC1)=N\O
InChIInChI=1S/C11H22N6O2/c12-9-10(14-18)1-3-16-5-7-17(8-6-16)4-2-11(13)15-19/h9,12,18-19H,1-8H2,(H2,13,15)/b12-9+,14-10-
InChIKeyAJNYEIISCRXELS-FNIWZSMSSA-N
XLogP-0.39
TPSA121.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

Analyze N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide (CID 143800357) is N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide is [H]/N=C/C(CCN1CCN(CC/C(N)=N/O)CC1)=N\O.
What is the InChIKey of N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide?
The InChIKey is AJNYEIISCRXELS-FNIWZSMSSA-N. The full InChI is InChI=1S/C11H22N6O2/c12-9-10(14-18)1-3-16-5-7-17(8-6-16)4-2-11(13)15-19/h9,12,18-19H,1-8H2,(H2,13,15)/b12-9+,14-10-.
What are the key properties of N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide?
N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide has a molecular weight of 270.34 g/mol, XLogP of -0.39, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-[(3Z)-3-hydroxyimino-4-iminobutyl]piperazin-1-yl]propanimidamide is sourced from PubChem (CID 143800357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).