N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide

C14H19N3O3 — CID 43373259

IUPACN'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
SMILESCOC1CCN(C(=O)c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-12-6-8-17(9-7-12)14(18)11-4-2-10(3-5-11)13(15)16-19/h2-5,12,19H,6-9H2,1H3,(H2,15,16)
InChIKeyXWYRGMWAAANACR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.03
Rot. Bonds3

About N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide

N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide (PubChem CID 43373259) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
PubChem CID43373259
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
SMILESCOC1CCN(C(=O)c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-12-6-8-17(9-7-12)14(18)11-4-2-10(3-5-11)13(15)16-19/h2-5,12,19H,6-9H2,1H3,(H2,15,16)
InChIKeyXWYRGMWAAANACR-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.03
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-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
CID 77002526
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 43372970
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
[4-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 137412334
N'-hydroxy-4-(3,4,5-trimethylpiperazine-1-carbonyl)benzenecarboximidamide
CID 114539189
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide (CID 43373259) is N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide is COC1CCN(C(=O)c2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide?
The InChIKey is XWYRGMWAAANACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-12-6-8-17(9-7-12)14(18)11-4-2-10(3-5-11)13(15)16-19/h2-5,12,19H,6-9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide?
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide has a molecular weight of 277.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide is sourced from PubChem (CID 43373259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).