3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide

C12H23N3O3 — CID 76921685

IUPAC3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCCOC1CCCN(C(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H23N3O3/c1-4-18-9-6-5-7-15(8-9)11(16)12(2,3)10(13)14-17/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyBOBYDOPIZCWPLC-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.79
Rot. Bonds4

About 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide

3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (PubChem CID 76921685) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
PubChem CID76921685
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCCOC1CCCN(C(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H23N3O3/c1-4-18-9-6-5-7-15(8-9)11(16)12(2,3)10(13)14-17/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyBOBYDOPIZCWPLC-UHFFFAOYSA-N
XLogP0.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76926876
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550106
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921633
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76921686
N'-hydroxy-2,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-oxopropanimidamide
CID 81200424
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106112639
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (CID 76921685) is 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide is CCOC1CCCN(C(=O)C(C)(C)C(N)=NO)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The InChIKey is BOBYDOPIZCWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-18-9-6-5-7-15(8-9)11(16)12(2,3)10(13)14-17/h9,17H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide has a molecular weight of 257.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide is sourced from PubChem (CID 76921685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).