2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide

C15H20FN3O2 — CID 114509480

IUPAC2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(F)cc2)CC/C1=N\O
InChIInChI=1S/C15H20FN3O2/c1-2-11-9-19(8-7-14(11)18-21)10-15(20)17-13-5-3-12(16)4-6-13/h3-6,11,21H,2,7-10H2,1H3,(H,17,20)/b18-14+
InChIKeyFTWDHPIFXOALJN-NBVRZTHBSA-N
MW293.34 g/mol
LogP2.33
Rot. Bonds4

About 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 114509480) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID114509480
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(F)cc2)CC/C1=N\O
InChIInChI=1S/C15H20FN3O2/c1-2-11-9-19(8-7-14(11)18-21)10-15(20)17-13-5-3-12(16)4-6-13/h3-6,11,21H,2,7-10H2,1H3,(H,17,20)/b18-14+
InChIKeyFTWDHPIFXOALJN-NBVRZTHBSA-N
XLogP2.33
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.33
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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Related Compounds

2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 114509607
2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 114509536
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 171327661
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
CID 163357389
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 114509480) is 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide is CCC1CN(CC(=O)Nc2ccc(F)cc2)CC/C1=N\O.
What is the InChIKey of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is FTWDHPIFXOALJN-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-2-11-9-19(8-7-14(11)18-21)10-15(20)17-13-5-3-12(16)4-6-13/h3-6,11,21H,2,7-10H2,1H3,(H,17,20)/b18-14+.
What are the key properties of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 293.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 114509480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).