N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide

C14H20N4O3 — CID 77011790

IUPACN'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(C(=O)Cc2cccc(O)c2)CC1)=NO
InChIInChI=1S/C14H20N4O3/c15-13(16-21)10-17-4-6-18(7-5-17)14(20)9-11-2-1-3-12(19)8-11/h1-3,8,19,21H,4-7,9-10H2,(H2,15,16)
InChIKeyWHBOMPNCKNSMRH-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.17
Rot. Bonds4

About N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide (PubChem CID 77011790) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
PubChem CID77011790
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(C(=O)Cc2cccc(O)c2)CC1)=NO
InChIInChI=1S/C14H20N4O3/c15-13(16-21)10-17-4-6-18(7-5-17)14(20)9-11-2-1-3-12(19)8-11/h1-3,8,19,21H,4-7,9-10H2,(H2,15,16)
InChIKeyWHBOMPNCKNSMRH-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
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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Related Compounds

2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011840
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336015
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
CID 141149374
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide (CID 77011790) is N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide is NC(CN1CCN(C(=O)Cc2cccc(O)c2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide?
The InChIKey is WHBOMPNCKNSMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-13(16-21)10-17-4-6-18(7-5-17)14(20)9-11-2-1-3-12(19)8-11/h1-3,8,19,21H,4-7,9-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide has a molecular weight of 292.34 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77011790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).