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

C9H16N4O3 — CID 43156103

IUPAC3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCC(=O)N1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C9H16N4O3/c1-7(14)12-2-4-13(5-3-12)9(15)6-8(10)11-16/h16H,2-6H2,1H3,(H2,10,11)
InChIKeyKMVSTBUWCTWIKW-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.19
Rot. Bonds2

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

3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide (PubChem CID 43156103) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
PubChem CID43156103
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCC(=O)N1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C9H16N4O3/c1-7(14)12-2-4-13(5-3-12)9(15)6-8(10)11-16/h16H,2-6H2,1H3,(H2,10,11)
InChIKeyKMVSTBUWCTWIKW-UHFFFAOYSA-N
XLogP-1.19
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.19
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 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide (CID 43156103) is 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide is CC(=O)N1CCN(C(=O)C/C(N)=N/O)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is KMVSTBUWCTWIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7(14)12-2-4-13(5-3-12)9(15)6-8(10)11-16/h16H,2-6H2,1H3,(H2,10,11).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 228.25 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 43156103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).