4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

C14H20N4O2 — CID 43333210

IUPAC4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCCN1CCN(C(=O)c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H20N4O2/c1-2-17-7-9-18(10-8-17)14(19)12-5-3-11(4-6-12)13(15)16-20/h3-6,20H,2,7-10H2,1H3,(H2,15,16)
InChIKeyDPMBZJIAIKEWPA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.56
Rot. Bonds3

About 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 43333210) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
PubChem CID43333210
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCCN1CCN(C(=O)c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H20N4O2/c1-2-17-7-9-18(10-8-17)14(19)12-5-3-11(4-6-12)13(15)16-20/h3-6,20H,2,7-10H2,1H3,(H2,15,16)
InChIKeyDPMBZJIAIKEWPA-UHFFFAOYSA-N
XLogP0.56
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.56
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

(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
CID 43373259
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
CID 77002526
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 107457765
N'-hydroxy-4-(3,4,5-trimethylpiperazine-1-carbonyl)benzenecarboximidamide
CID 114539189
(4-ethylpiperazin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 110693173
2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide
CID 90770021
4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 77111806

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (CID 43333210) is 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is CCN1CCN(C(=O)c2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is DPMBZJIAIKEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-17-7-9-18(10-8-17)14(19)12-5-3-11(4-6-12)13(15)16-20/h3-6,20H,2,7-10H2,1H3,(H2,15,16).
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 276.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43333210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).