3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide

C12H23N3O2 — CID 76920687

IUPAC3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCC1CCCC(C)N1C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-8-6-5-7-9(2)15(8)11(16)12(3,4)10(13)14-17/h8-9,17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyMZNSPLOSQKMKIQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.55
Rot. Bonds2

About 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide

3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (PubChem CID 76920687) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
PubChem CID76920687
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCC1CCCC(C)N1C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-8-6-5-7-9(2)15(8)11(16)12(3,4)10(13)14-17/h8-9,17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyMZNSPLOSQKMKIQ-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.55
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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Related Compounds

2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429422
2-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79796957
N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide
CID 77016248
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
(2S,6R)-N-tert-butyl-2,6-dimethylpiperidine-1-carboxamide
CID 104967122
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76920595
3-amino-3-hydroxyimino-2,2-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 76920555
N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 83022850
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76921685
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (CID 76920687) is 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide is CC1CCCC(C)N1C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The InChIKey is MZNSPLOSQKMKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8-6-5-7-9(2)15(8)11(16)12(3,4)10(13)14-17/h8-9,17H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide is sourced from PubChem (CID 76920687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).