2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O2 — CID 104931545

IUPAC2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CN(CC(=O)NCC(F)(F)F)CCC1=NO
InChIInChI=1S/C11H18F3N3O2/c1-2-8-5-17(4-3-9(8)16-19)6-10(18)15-7-11(12,13)14/h8,19H,2-7H2,1H3,(H,15,18)
InChIKeyFDWBDTTUAQAMDR-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.23
Rot. Bonds4

About 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 104931545) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID104931545
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CN(CC(=O)NCC(F)(F)F)CCC1=NO
InChIInChI=1S/C11H18F3N3O2/c1-2-8-5-17(4-3-9(8)16-19)6-10(18)15-7-11(12,13)14/h8,19H,2-7H2,1H3,(H,15,18)
InChIKeyFDWBDTTUAQAMDR-UHFFFAOYSA-N
XLogP1.23
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 104931545) is 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCC1CN(CC(=O)NCC(F)(F)F)CCC1=NO.
What is the InChIKey of 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FDWBDTTUAQAMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-2-8-5-17(4-3-9(8)16-19)6-10(18)15-7-11(12,13)14/h8,19H,2-7H2,1H3,(H,15,18).
What are the key properties of 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 104931545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).