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

C16H23N3O2 — CID 114509607

IUPAC2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2cccc(C)c2)CC/C1=N\O
InChIInChI=1S/C16H23N3O2/c1-3-13-10-19(8-7-15(13)18-21)11-16(20)17-14-6-4-5-12(2)9-14/h4-6,9,13,21H,3,7-8,10-11H2,1-2H3,(H,17,20)/b18-15+
InChIKeyFERLXDDXOAYSJV-OBGWFSINSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds4

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

2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 114509607) 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-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID114509607
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2cccc(C)c2)CC/C1=N\O
InChIInChI=1S/C16H23N3O2/c1-3-13-10-19(8-7-15(13)18-21)11-16(20)17-14-6-4-5-12(2)9-14/h4-6,9,13,21H,3,7-8,10-11H2,1-2H3,(H,17,20)/b18-15+
InChIKeyFERLXDDXOAYSJV-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-(4-fluorophenyl)acetamide
CID 114509480
2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 114509536
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197537
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide (CID 114509607) is 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide is CCC1CN(CC(=O)Nc2cccc(C)c2)CC/C1=N\O.
What is the InChIKey of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is FERLXDDXOAYSJV-OBGWFSINSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-13-10-19(8-7-15(13)18-21)11-16(20)17-14-6-4-5-12(2)9-14/h4-6,9,13,21H,3,7-8,10-11H2,1-2H3,(H,17,20)/b18-15+.
What are the key properties of 2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-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-(3-methylphenyl)acetamide is sourced from PubChem (CID 114509607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).