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

C9H18N4O2 — CID 57360666

IUPAC3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCCN1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C9H18N4O2/c1-2-12-3-5-13(6-4-12)9(14)7-8(10)11-15/h15H,2-7H2,1H3,(H2,10,11)
InChIKeyUFBRXSJMJPUYKN-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.71
Rot. Bonds3

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

3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide (PubChem CID 57360666) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
PubChem CID57360666
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCCN1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C9H18N4O2/c1-2-12-3-5-13(6-4-12)9(14)7-8(10)11-15/h15H,2-7H2,1H3,(H2,10,11)
InChIKeyUFBRXSJMJPUYKN-UHFFFAOYSA-N
XLogP-0.71
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.71
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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Related Compounds

N'-hydroxy-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 76979527
N'-hydroxy-2,2-dimethyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 76979528
N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 76979529
N'-hydroxy-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]butanimidamide
CID 76979548
N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanimidamide
CID 77012398
N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]butanimidamide
CID 77012790
2-(4-acetylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 21098287
CID 27396622
CID 27396622
(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide
CID 43155944
(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-methylpropanamide
CID 43263695
CID 51568426
CID 51568426
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dioxopiperazin-1-yl]-N'-hydroxypropanimidamide
CID 57668578

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide (CID 57360666) is 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide is CCN1CCN(C(=O)CC(N)=NO)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is UFBRXSJMJPUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-2-12-3-5-13(6-4-12)9(14)7-8(10)11-15/h15H,2-7H2,1H3,(H2,10,11).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 214.27 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 57360666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).