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

C16H23N3O2 — CID 114509536

IUPAC2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccccc2C)CC/C1=N\O
InChIInChI=1S/C16H23N3O2/c1-3-13-10-19(9-8-15(13)18-21)11-16(20)17-14-7-5-4-6-12(14)2/h4-7,13,21H,3,8-11H2,1-2H3,(H,17,20)/b18-15+
InChIKeyWCFQMYKEMCFYGB-OBGWFSINSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds4

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

2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 114509536) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID114509536
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccccc2C)CC/C1=N\O
InChIInChI=1S/C16H23N3O2/c1-3-13-10-19(9-8-15(13)18-21)11-16(20)17-14-7-5-4-6-12(14)2/h4-7,13,21H,3,8-11H2,1-2H3,(H,17,20)/b18-15+
InChIKeyWCFQMYKEMCFYGB-OBGWFSINSA-N
XLogP2.50
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
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-(4-fluorophenyl)acetamide
CID 114509480
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-methylphenyl)acetamide
CID 11940545
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618917
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide (CID 114509536) is 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide is CCC1CN(CC(=O)Nc2ccccc2C)CC/C1=N\O.
What is the InChIKey of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is WCFQMYKEMCFYGB-OBGWFSINSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-13-10-19(9-8-15(13)18-21)11-16(20)17-14-7-5-4-6-12(14)2/h4-7,13,21H,3,8-11H2,1-2H3,(H,17,20)/b18-15+.
What are the key properties of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.50, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 114509536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).