[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone

C13H17N3O2 — CID 114509248

IUPAC[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCC1CN(C(=O)c2ccncc2)CC/C1=N\O
InChIInChI=1S/C13H17N3O2/c1-2-10-9-16(8-5-12(10)15-18)13(17)11-3-6-14-7-4-11/h3-4,6-7,10,18H,2,5,8-9H2,1H3/b15-12+
InChIKeyGXXIFWZRZRODRD-NTCAYCPXSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds2

About [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone

[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 114509248) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID114509248
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCC1CN(C(=O)c2ccncc2)CC/C1=N\O
InChIInChI=1S/C13H17N3O2/c1-2-10-9-16(8-5-12(10)15-18)13(17)11-3-6-14-7-4-11/h3-4,6-7,10,18H,2,5,8-9H2,1H3/b15-12+
InChIKeyGXXIFWZRZRODRD-NTCAYCPXSA-N
XLogP1.78
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
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

(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-(4-nitrophenyl)methanone
CID 114509311
(3,5-dibromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107972408
(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509270
(5-chlorofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106687404
(5-bromofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509384
(2,4-dichlorophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509238
3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
CID 104931324
(2,5-dibromothiophen-3-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107962416
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974
N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide
CID 104931321

Frequently Asked Questions

What is the IUPAC name of [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone (CID 114509248) is [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone is CCC1CN(C(=O)c2ccncc2)CC/C1=N\O.
What is the InChIKey of [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GXXIFWZRZRODRD-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-10-9-16(8-5-12(10)15-18)13(17)11-3-6-14-7-4-11/h3-4,6-7,10,18H,2,5,8-9H2,1H3/b15-12+.
What are the key properties of [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone?
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 247.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 114509248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).