N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide

C14H20N4O3 — CID 43592293

IUPACN'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H20N4O3/c15-13(16-21)11-1-3-12(4-2-11)14(20)18-7-5-17(6-8-18)9-10-19/h1-4,19,21H,5-10H2,(H2,15,16)
InChIKeyOWIHNBMRKGZICB-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.47
Rot. Bonds4

About N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide

N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide (PubChem CID 43592293) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide
PubChem CID43592293
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H20N4O3/c15-13(16-21)11-1-3-12(4-2-11)14(20)18-7-5-17(6-8-18)9-10-19/h1-4,19,21H,5-10H2,(H2,15,16)
InChIKeyOWIHNBMRKGZICB-UHFFFAOYSA-N
XLogP-0.47
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide (CID 43592293) is N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide is N/C(=N\O)c1ccc(C(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide?
The InChIKey is OWIHNBMRKGZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-13(16-21)11-1-3-12(4-2-11)14(20)18-7-5-17(6-8-18)9-10-19/h1-4,19,21H,5-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide?
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide has a molecular weight of 292.34 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide is sourced from PubChem (CID 43592293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).