3,5-dimethyl-4-oxopiperidine-1-carboximidamide

C8H15N3O — CID 54382200

IUPAC3,5-dimethyl-4-oxopiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)C(=O)C(C)C1
InChIInChI=1S/C8H15N3O/c1-5-3-11(8(9)10)4-6(2)7(5)12/h5-6H,3-4H2,1-2H3,(H3,9,10)
InChIKeyVASBJTRPGOYGJP-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.04
Rot. Bonds

About 3,5-dimethyl-4-oxopiperidine-1-carboximidamide

3,5-dimethyl-4-oxopiperidine-1-carboximidamide (PubChem CID 54382200) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxopiperidine-1-carboximidamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxopiperidine-1-carboximidamide
PubChem CID54382200
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3,5-dimethyl-4-oxopiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)C(=O)C(C)C1
InChIInChI=1S/C8H15N3O/c1-5-3-11(8(9)10)4-6(2)7(5)12/h5-6H,3-4H2,1-2H3,(H3,9,10)
InChIKeyVASBJTRPGOYGJP-UHFFFAOYSA-N
XLogP0.04
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-4-oxopiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxopiperidine-1-carboximidamide?
The IUPAC name of 3,5-dimethyl-4-oxopiperidine-1-carboximidamide (CID 54382200) is 3,5-dimethyl-4-oxopiperidine-1-carboximidamide.
What is the SMILES notation for 3,5-dimethyl-4-oxopiperidine-1-carboximidamide?
The canonical SMILES for 3,5-dimethyl-4-oxopiperidine-1-carboximidamide is [H]/N=C(\N)N1CC(C)C(=O)C(C)C1.
What is the InChIKey of 3,5-dimethyl-4-oxopiperidine-1-carboximidamide?
The InChIKey is VASBJTRPGOYGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5-3-11(8(9)10)4-6(2)7(5)12/h5-6H,3-4H2,1-2H3,(H3,9,10).
What are the key properties of 3,5-dimethyl-4-oxopiperidine-1-carboximidamide?
3,5-dimethyl-4-oxopiperidine-1-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxopiperidine-1-carboximidamide is sourced from PubChem (CID 54382200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).