N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide

C10H16F3N3O2 — CID 77073193

IUPACN'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide
SMILESCC(C(=O)N1CCCC(C(F)(F)F)C1)C(N)=NO
InChIInChI=1S/C10H16F3N3O2/c1-6(8(14)15-18)9(17)16-4-2-3-7(5-16)10(11,12)13/h6-7,18H,2-5H2,1H3,(H2,14,15)
InChIKeyMQLWTHAEQPTWPL-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.17
Rot. Bonds2

About N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide

N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide (PubChem CID 77073193) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide
PubChem CID77073193
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide
SMILESCC(C(=O)N1CCCC(C(F)(F)F)C1)C(N)=NO
InChIInChI=1S/C10H16F3N3O2/c1-6(8(14)15-18)9(17)16-4-2-3-7(5-16)10(11,12)13/h6-7,18H,2-5H2,1H3,(H2,14,15)
InChIKeyMQLWTHAEQPTWPL-UHFFFAOYSA-N
XLogP1.17
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide (CID 77073193) is N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide is CC(C(=O)N1CCCC(C(F)(F)F)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide?
The InChIKey is MQLWTHAEQPTWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-6(8(14)15-18)9(17)16-4-2-3-7(5-16)10(11,12)13/h6-7,18H,2-5H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide has a molecular weight of 267.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide is sourced from PubChem (CID 77073193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).