3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide

C11H21N3O2 — CID 104931324

IUPAC3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(=NO)C(CC)C1
InChIInChI=1S/C11H21N3O2/c1-3-6-12-11(15)14-7-5-10(13-16)9(4-2)8-14/h9,16H,3-8H2,1-2H3,(H,12,15)
InChIKeyPEOJNZZIWPTACO-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.67
Rot. Bonds3

About 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide

3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide (PubChem CID 104931324) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
PubChem CID104931324
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(=NO)C(CC)C1
InChIInChI=1S/C11H21N3O2/c1-3-6-12-11(15)14-7-5-10(13-16)9(4-2)8-14/h9,16H,3-8H2,1-2H3,(H,12,15)
InChIKeyPEOJNZZIWPTACO-UHFFFAOYSA-N
XLogP1.67
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
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

1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)octan-1-one
CID 104931312
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
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
N,3-diethyl-4-oxopiperidine-1-carboxamide
CID 114508449
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-(4-nitrophenyl)methanone
CID 114509311
(5-chlorofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106687404
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
(2,4-dichlorophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509238
1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114509216

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide?
The IUPAC name of 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide (CID 104931324) is 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(=NO)C(CC)C1.
What is the InChIKey of 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide?
The InChIKey is PEOJNZZIWPTACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-6-12-11(15)14-7-5-10(13-16)9(4-2)8-14/h9,16H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide?
3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 104931324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).