N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide

C10H20N4O2 — CID 43156151

IUPACN'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide
SMILESCCCN1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C10H20N4O2/c1-2-3-13-4-6-14(7-5-13)10(15)8-9(11)12-16/h16H,2-8H2,1H3,(H2,11,12)
InChIKeyUNXSTBJYERLLEL-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.32
Rot. Bonds4

About N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide

N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide (PubChem CID 43156151) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide
PubChem CID43156151
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide
SMILESCCCN1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C10H20N4O2/c1-2-3-13-4-6-14(7-5-13)10(15)8-9(11)12-16/h16H,2-8H2,1H3,(H2,11,12)
InChIKeyUNXSTBJYERLLEL-UHFFFAOYSA-N
XLogP-0.32
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.32
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 N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide (CID 43156151) is N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide is CCCN1CCN(C(=O)C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide?
The InChIKey is UNXSTBJYERLLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-2-3-13-4-6-14(7-5-13)10(15)8-9(11)12-16/h16H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide?
N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide has a molecular weight of 228.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 43156151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).