N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide

C10H17F3N4O2 — CID 76979529

IUPACN'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(=O)N1CCN(CC(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C10H17F3N4O2/c1-7(8(14)15-19)9(18)17-4-2-16(3-5-17)6-10(11,12)13/h7,19H,2-6H2,1H3,(H2,14,15)
InChIKeyDVUHLVIGEIGNKD-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.08
Rot. Bonds3

About N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide (PubChem CID 76979529) has the molecular formula C10H17F3N4O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
PubChem CID76979529
Molecular FormulaC10H17F3N4O2
Molecular Weight282.27 g/mol
Exact Mass282.13
IUPAC NameN'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(=O)N1CCN(CC(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C10H17F3N4O2/c1-7(8(14)15-19)9(18)17-4-2-16(3-5-17)6-10(11,12)13/h7,19H,2-6H2,1H3,(H2,14,15)
InChIKeyDVUHLVIGEIGNKD-UHFFFAOYSA-N
XLogP0.08
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.08
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'}

Analyze N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide (CID 76979529) is N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide is CC(C(=O)N1CCN(CC(F)(F)F)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
The InChIKey is DVUHLVIGEIGNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2/c1-7(8(14)15-19)9(18)17-4-2-16(3-5-17)6-10(11,12)13/h7,19H,2-6H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide has a molecular weight of 282.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 76979529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).