N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide

C13H25N3O3 — CID 107162347

IUPACN'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide
SMILESCOCC(C)CC(=O)N1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C13H25N3O3/c1-10(9-19-3)8-11(17)16-6-4-13(2,5-7-16)12(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyCQOOBMMKRZCIQP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.03
Rot. Bonds5

About N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide

N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide (PubChem CID 107162347) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide
PubChem CID107162347
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide
SMILESCOCC(C)CC(=O)N1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C13H25N3O3/c1-10(9-19-3)8-11(17)16-6-4-13(2,5-7-16)12(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyCQOOBMMKRZCIQP-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.03
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

N'-hydroxy-4-methyl-1-(2-methylsulfanylacetyl)piperidine-4-carboximidamide
CID 107162505
1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162538
N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
CID 107161764
N'-hydroxy-4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carboximidamide
CID 107162672
N'-hydroxy-1-(2-methoxyacetyl)-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108950
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methoxy-3-methylbutan-1-one
CID 82691506
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
1-(4-amino-3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
CID 81458526
N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide
CID 107162390
1-(N'-hydroxycarbamimidoyl)-N-(3-methoxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 76930746
1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
CID 116503309
1-(4-methoxybutanoyl)-4-methylpiperidine-4-carbothioamide
CID 107161082

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide (CID 107162347) is N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide is COCC(C)CC(=O)N1CCC(C)(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide?
The InChIKey is CQOOBMMKRZCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(9-19-3)8-11(17)16-6-4-13(2,5-7-16)12(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide?
N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide has a molecular weight of 271.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).