N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide

C9H17N3O3 — CID 43590586

IUPACN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCCC(CO)C1)=N\O
InChIInChI=1S/C9H17N3O3/c10-8(11-15)4-9(14)12-3-1-2-7(5-12)6-13/h7,13,15H,1-6H2,(H2,10,11)
InChIKeyLFKBHLZLEZCCIM-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.65
Rot. Bonds3

About N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide

N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide (PubChem CID 43590586) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
PubChem CID43590586
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCCC(CO)C1)=N\O
InChIInChI=1S/C9H17N3O3/c10-8(11-15)4-9(14)12-3-1-2-7(5-12)6-13/h7,13,15H,1-6H2,(H2,10,11)
InChIKeyLFKBHLZLEZCCIM-UHFFFAOYSA-N
XLogP-0.65
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.65
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'}

Analyze N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
CID 43156168
3-Amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590313
N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43590330
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590332
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43590335
(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 55225686
N'-hydroxy-5-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61524285
N'-hydroxy-2-(4-hydroxypiperidine-1-carbonyl)pentanimidamide
CID 61857154
N'-hydroxy-2-(4-hydroxypiperidine-1-carbonyl)-3-methylbutanimidamide
CID 61857155
N'-hydroxy-2-[3-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide
CID 61857595
N'-hydroxy-2-[3-(hydroxymethyl)piperidine-1-carbonyl]pentanimidamide
CID 61857596
N'-hydroxy-2-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylbutanimidamide
CID 61857597

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide (CID 43590586) is N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide is N/C(CC(=O)N1CCCC(CO)C1)=N\O.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
The InChIKey is LFKBHLZLEZCCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-8(11-15)4-9(14)12-3-1-2-7(5-12)6-13/h7,13,15H,1-6H2,(H2,10,11).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide has a molecular weight of 215.25 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide is sourced from PubChem (CID 43590586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).