2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide

C8H16N4O2 — CID 21098287

IUPAC2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide
SMILESCC(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C8H16N4O2/c1-7(13)12-4-2-11(3-5-12)6-8(9)10-14/h14H,2-6H2,1H3,(H2,9,10)
InChIKeyIEJDZGDFCZAFEU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.10
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide

2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide (PubChem CID 21098287) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide
PubChem CID21098287
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide
SMILESCC(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C8H16N4O2/c1-7(13)12-4-2-11(3-5-12)6-8(9)10-14/h14H,2-6H2,1H3,(H2,9,10)
InChIKeyIEJDZGDFCZAFEU-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 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide (CID 21098287) is 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide is CC(=O)N1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is IEJDZGDFCZAFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-7(13)12-4-2-11(3-5-12)6-8(9)10-14/h14H,2-6H2,1H3,(H2,9,10).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide?
2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide 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 2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 21098287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).