(3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone

C12H20N2O3 — CID 104931245

IUPAC(3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone
SMILESCCC1CN(C(=O)C2CCCO2)CCC1=NO
InChIInChI=1S/C12H20N2O3/c1-2-9-8-14(6-5-10(9)13-16)12(15)11-4-3-7-17-11/h9,11,16H,2-8H2,1H3
InChIKeyAAHKPQQBZSZFHX-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.25
Rot. Bonds2

About (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone

(3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 104931245) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone
PubChem CID104931245
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone
SMILESCCC1CN(C(=O)C2CCCO2)CCC1=NO
InChIInChI=1S/C12H20N2O3/c1-2-9-8-14(6-5-10(9)13-16)12(15)11-4-3-7-17-11/h9,11,16H,2-8H2,1H3
InChIKeyAAHKPQQBZSZFHX-UHFFFAOYSA-N
XLogP1.25
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
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

2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509270
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
CID 77041531
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone (CID 104931245) is (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone is CCC1CN(C(=O)C2CCCO2)CCC1=NO.
What is the InChIKey of (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is AAHKPQQBZSZFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-9-8-14(6-5-10(9)13-16)12(15)11-4-3-7-17-11/h9,11,16H,2-8H2,1H3.
What are the key properties of (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone?
(3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 240.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 104931245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).