3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide

C9H17N3O2 — CID 104931033

IUPAC3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
SMILESCC1CN(CCC(N)=O)CCC1=NO
InChIInChI=1S/C9H17N3O2/c1-7-6-12(5-3-9(10)13)4-2-8(7)11-14/h7,14H,2-6H2,1H3,(H2,10,13)
InChIKeyXLUDTULVUIGLOE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.03
Rot. Bonds3

About 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide

3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide (PubChem CID 104931033) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
PubChem CID104931033
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
SMILESCC1CN(CCC(N)=O)CCC1=NO
InChIInChI=1S/C9H17N3O2/c1-7-6-12(5-3-9(10)13)4-2-8(7)11-14/h7,14H,2-6H2,1H3,(H2,10,13)
InChIKeyXLUDTULVUIGLOE-UHFFFAOYSA-N
XLogP0.03
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
The IUPAC name of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide (CID 104931033) is 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide is CC1CN(CCC(N)=O)CCC1=NO.
What is the InChIKey of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
The InChIKey is XLUDTULVUIGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-6-12(5-3-9(10)13)4-2-8(7)11-14/h7,14H,2-6H2,1H3,(H2,10,13).
What are the key properties of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide has a molecular weight of 199.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 104931033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).