3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide

C10H15F3N4O3 — CID 103369940

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide
SMILESCN1C(=O)CCC(NCC(C(N)=NO)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N4O3/c1-17-7(18)3-2-6(9(17)19)15-4-5(8(14)16-20)10(11,12)13/h5-6,15,20H,2-4H2,1H3,(H2,14,16)
InChIKeyZHJURZQTWLEQRY-UHFFFAOYSA-N
MW296.25 g/mol
LogP-0.35
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide (PubChem CID 103369940) has the molecular formula C10H15F3N4O3 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide
PubChem CID103369940
Molecular FormulaC10H15F3N4O3
Molecular Weight296.25 g/mol
Exact Mass296.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide
SMILESCN1C(=O)CCC(NCC(C(N)=NO)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N4O3/c1-17-7(18)3-2-6(9(17)19)15-4-5(8(14)16-20)10(11,12)13/h5-6,15,20H,2-4H2,1H3,(H2,14,16)
InChIKeyZHJURZQTWLEQRY-UHFFFAOYSA-N
XLogP-0.35
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide (CID 103369940) is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide is CN1C(=O)CCC(NCC(C(N)=NO)C(F)(F)F)C1=O.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide?
The InChIKey is ZHJURZQTWLEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3/c1-17-7(18)3-2-6(9(17)19)15-4-5(8(14)16-20)10(11,12)13/h5-6,15,20H,2-4H2,1H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide has a molecular weight of 296.25 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).