2-(4-hydroxyiminopiperidin-1-yl)propanamide

C8H15N3O2 — CID 43117211

IUPAC2-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H15N3O2/c1-6(8(9)12)11-4-2-7(10-13)3-5-11/h6,13H,2-5H2,1H3,(H2,9,12)
InChIKeyVFEZNLJIMHQGAL-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.21
Rot. Bonds2

About 2-(4-hydroxyiminopiperidin-1-yl)propanamide

2-(4-hydroxyiminopiperidin-1-yl)propanamide (PubChem CID 43117211) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)propanamide
PubChem CID43117211
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC(=NO)CC1
InChIInChI=1S/C8H15N3O2/c1-6(8(9)12)11-4-2-7(10-13)3-5-11/h6,13H,2-5H2,1H3,(H2,9,12)
InChIKeyVFEZNLJIMHQGAL-UHFFFAOYSA-N
XLogP-0.21
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.21
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

N-hydroxy-2-piperidin-1-ylpropanamide
CID 20978233
(2S)-2-amino-N-[(2S)-1-[(4-methoxyiminopiperidin-3-yl)amino]-1-oxopropan-2-yl]propanamide
CID 141356276
2-[4-(Hydroxyimino)piperidin-1-yl]acetamide
CID 16227489
N-cyclopropyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide
CID 17549924
N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride
CID 20978232
N-ethyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide
CID 24689711
2-[4-(hydroxyimino)piperidin-1-yl]-N-methylacetamide
CID 24691032
2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide
CID 24697987
2-(4-hydroxyiminopiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 24698138
2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylacetamide
CID 24702786
N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide
CID 24708650
2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide
CID 24710256

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)propanamide (CID 43117211) is 2-(4-hydroxyiminopiperidin-1-yl)propanamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)propanamide is CC(C(N)=O)N1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The InChIKey is VFEZNLJIMHQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(8(9)12)11-4-2-7(10-13)3-5-11/h6,13H,2-5H2,1H3,(H2,9,12).
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)propanamide?
2-(4-hydroxyiminopiperidin-1-yl)propanamide has a molecular weight of 185.23 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminopiperidin-1-yl)propanamide is sourced from PubChem (CID 43117211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).