N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide

C8H15N3O3 — CID 43156134

IUPACN'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCC(O)CC1)=N\O
InChIInChI=1S/C8H15N3O3/c9-7(10-14)5-8(13)11-3-1-6(12)2-4-11/h6,12,14H,1-5H2,(H2,9,10)
InChIKeyYMGSZJBILSNNGS-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.89
Rot. Bonds2

About N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide

N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide (PubChem CID 43156134) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide
PubChem CID43156134
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCC(O)CC1)=N\O
InChIInChI=1S/C8H15N3O3/c9-7(10-14)5-8(13)11-3-1-6(12)2-4-11/h6,12,14H,1-5H2,(H2,9,10)
InChIKeyYMGSZJBILSNNGS-UHFFFAOYSA-N
XLogP-0.89
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
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-3-oxo-3-piperidin-1-ylpropanimidamide
CID 4134339
(Z)-N'-Hydroxy-3-oxo-3-(piperidin-1-YL)propanimidamide
CID 6018224
N'-hydroxy-3-oxo-3-(piperidin-1-yl)propanimidamide
CID 16771881
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
CID 43156168
N'-hydroxy-3-(4-methoxypiperidin-1-yl)-3-oxopropanimidamide
CID 43373257
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 61217570
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)-3-oxopropanimidamide
CID 61439435
N'-hydroxy-2-(4-hydroxypiperidine-1-carbonyl)pentanimidamide
CID 61857154
N'-hydroxy-2-(4-hydroxypiperidine-1-carbonyl)-3-methylbutanimidamide
CID 61857155
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 61857807
N'-hydroxy-2-(4-methoxypiperidine-1-carbonyl)butanimidamide
CID 61859390

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide (CID 43156134) is N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide is N/C(CC(=O)N1CCC(O)CC1)=N\O.
What is the InChIKey of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide?
The InChIKey is YMGSZJBILSNNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-7(10-14)5-8(13)11-3-1-6(12)2-4-11/h6,12,14H,1-5H2,(H2,9,10).
What are the key properties of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide?
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide has a molecular weight of 201.23 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide is sourced from PubChem (CID 43156134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).