N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide

C11H21N3O3 — CID 114292730

IUPACN'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1CCCC(O)C1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-3-11(2,9(12)13-17)10(16)14-6-4-5-8(15)7-14/h8,15,17H,3-7H2,1-2H3,(H2,12,13)
InChIKeyHCQWDHUMYLQMFU-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.13
Rot. Bonds3

About N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide

N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide (PubChem CID 114292730) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
PubChem CID114292730
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1CCCC(O)C1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-3-11(2,9(12)13-17)10(16)14-6-4-5-8(15)7-14/h8,15,17H,3-7H2,1-2H3,(H2,12,13)
InChIKeyHCQWDHUMYLQMFU-UHFFFAOYSA-N
XLogP0.13
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.13
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'}

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Related Compounds

N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 114293066
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292678
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide
CID 106837005
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76921685
2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 104876922
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292862

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide (CID 114292730) is N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide is CCC(C)(C(=O)N1CCCC(O)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide?
The InChIKey is HCQWDHUMYLQMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-11(2,9(12)13-17)10(16)14-6-4-5-8(15)7-14/h8,15,17H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide?
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide has a molecular weight of 243.31 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide is sourced from PubChem (CID 114292730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).