N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide

C9H17N3O2 — CID 43155989

IUPACN'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide
SMILESCC1CCCN(C(=O)C/C(N)=N/O)C1
InChIInChI=1S/C9H17N3O2/c1-7-3-2-4-12(6-7)9(13)5-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyZOEBFNBIONHIJS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.38
Rot. Bonds2

About N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide

N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide (PubChem CID 43155989) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide
PubChem CID43155989
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide
SMILESCC1CCCN(C(=O)C/C(N)=N/O)C1
InChIInChI=1S/C9H17N3O2/c1-7-3-2-4-12(6-7)9(13)5-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyZOEBFNBIONHIJS-UHFFFAOYSA-N
XLogP0.38
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide (CID 43155989) is N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide is CC1CCCN(C(=O)C/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide?
The InChIKey is ZOEBFNBIONHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-3-2-4-12(6-7)9(13)5-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide?
N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide has a molecular weight of 199.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide is sourced from PubChem (CID 43155989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).