N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide

C11H21N3O2 — CID 104931321

IUPACN,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide
SMILESCCC1CN(C(=O)N(C)CC)CCC1=NO
InChIInChI=1S/C11H21N3O2/c1-4-9-8-14(7-6-10(9)12-16)11(15)13(3)5-2/h9,16H,4-8H2,1-3H3
InChIKeyYHOBSFQCNMROID-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.62
Rot. Bonds2

About N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide

N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide (PubChem CID 104931321) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide
PubChem CID104931321
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide
SMILESCCC1CN(C(=O)N(C)CC)CCC1=NO
InChIInChI=1S/C11H21N3O2/c1-4-9-8-14(7-6-10(9)12-16)11(15)13(3)5-2/h9,16H,4-8H2,1-3H3
InChIKeyYHOBSFQCNMROID-UHFFFAOYSA-N
XLogP1.62
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
CID 104931324
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
(3,5-dibromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107972408
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
(3-ethyl-4-hydroxyiminopiperidin-1-yl)-(oxolan-2-yl)methanone
CID 104931245
(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509270
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
2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509312
(5-chlorofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106687404
2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509184

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide?
The IUPAC name of N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide (CID 104931321) is N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide is CCC1CN(C(=O)N(C)CC)CCC1=NO.
What is the InChIKey of N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide?
The InChIKey is YHOBSFQCNMROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-9-8-14(7-6-10(9)12-16)11(15)13(3)5-2/h9,16H,4-8H2,1-3H3.
What are the key properties of N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide?
N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 104931321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).