N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide

C12H23N3O3 — CID 76926875

IUPACN'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide
SMILESCCCOC1CCCN(C(=O)C(C)C(N)=NO)C1
InChIInChI=1S/C12H23N3O3/c1-3-7-18-10-5-4-6-15(8-10)12(16)9(2)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyXLGVFVWZGBJSPX-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.79
Rot. Bonds5

About N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide

N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide (PubChem CID 76926875) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide
PubChem CID76926875
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide
SMILESCCCOC1CCCN(C(=O)C(C)C(N)=NO)C1
InChIInChI=1S/C12H23N3O3/c1-3-7-18-10-5-4-6-15(8-10)12(16)9(2)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyXLGVFVWZGBJSPX-UHFFFAOYSA-N
XLogP0.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.79
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

3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76926876
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426
N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
CID 62362799
N'-hydroxy-2-(3-propoxypiperidin-1-yl)butanimidamide
CID 76915742
(2S)-2-amino-4-methylsulfanyl-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169174
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
3-propoxy-N'-propylpiperidine-1-carboximidamide
CID 62362576
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154
3-(azocan-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924604
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide (CID 76926875) is N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide is CCCOC1CCCN(C(=O)C(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide?
The InChIKey is XLGVFVWZGBJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-7-18-10-5-4-6-15(8-10)12(16)9(2)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide?
N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide has a molecular weight of 257.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide is sourced from PubChem (CID 76926875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).