N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide

C8H16N4O2 — CID 43155956

IUPACN'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide
SMILESCN1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)8(13)6-7(9)10-14/h14H,2-6H2,1H3,(H2,9,10)
InChIKeyQMONROCFWJPQET-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.10
Rot. Bonds2

About N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide

N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide (PubChem CID 43155956) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide
PubChem CID43155956
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC NameN'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide
SMILESCN1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)8(13)6-7(9)10-14/h14H,2-6H2,1H3,(H2,9,10)
InChIKeyQMONROCFWJPQET-UHFFFAOYSA-N
XLogP-1.10
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.10
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-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide (CID 43155956) is N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide is CN1CCN(C(=O)C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide?
The InChIKey is QMONROCFWJPQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)8(13)6-7(9)10-14/h14H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide?
N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide has a molecular weight of 200.24 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide is sourced from PubChem (CID 43155956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).