2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C13H17FN4O3 — CID 107016252

IUPAC2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(C(=O)c2c(O)cccc2F)CC1)=N/O
InChIInChI=1S/C13H17FN4O3/c14-9-2-1-3-10(19)12(9)13(20)18-6-4-17(5-7-18)8-11(15)16-21/h1-3,19,21H,4-8H2,(H2,15,16)
InChIKeyGSZUTPZCPVPDMP-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.04
Rot. Bonds3

About 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 107016252) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID107016252
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC Name2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(C(=O)c2c(O)cccc2F)CC1)=N/O
InChIInChI=1S/C13H17FN4O3/c14-9-2-1-3-10(19)12(9)13(20)18-6-4-17(5-7-18)8-11(15)16-21/h1-3,19,21H,4-8H2,(H2,15,16)
InChIKeyGSZUTPZCPVPDMP-UHFFFAOYSA-N
XLogP0.04
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.04
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-fluoro-6-hydroxybenzoyl)piperazin-1-yl]ethanethioamide
CID 107014923
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 104916616
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011940
2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107992491
N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011807
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 106855786
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015953
N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011990
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 104918307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 107016252) is 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide is N/C(CN1CCN(C(=O)c2c(O)cccc2F)CC1)=N/O.
What is the InChIKey of 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is GSZUTPZCPVPDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O3/c14-9-2-1-3-10(19)12(9)13(20)18-6-4-17(5-7-18)8-11(15)16-21/h1-3,19,21H,4-8H2,(H2,15,16).
What are the key properties of 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 296.30 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 107016252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).