1-acetyl-6-methylpiperidine-3-carboximidamide

C9H17N3O — CID 154943198

IUPAC1-acetyl-6-methylpiperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C)N(C(C)=O)C1
InChIInChI=1S/C9H17N3O/c1-6-3-4-8(9(10)11)5-12(6)7(2)13/h6,8H,3-5H2,1-2H3,(H3,10,11)
InChIKeyBLHGCRSIXFOZBJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.57
Rot. Bonds1

About 1-acetyl-6-methylpiperidine-3-carboximidamide

1-acetyl-6-methylpiperidine-3-carboximidamide (PubChem CID 154943198) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-acetyl-6-methylpiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-acetyl-6-methylpiperidine-3-carboximidamide
PubChem CID154943198
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-acetyl-6-methylpiperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C)N(C(C)=O)C1
InChIInChI=1S/C9H17N3O/c1-6-3-4-8(9(10)11)5-12(6)7(2)13/h6,8H,3-5H2,1-2H3,(H3,10,11)
InChIKeyBLHGCRSIXFOZBJ-UHFFFAOYSA-N
XLogP0.57
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.57
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 1-acetyl-6-methylpiperidine-3-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 1-acetyl-6-methylpiperidine-3-carboximidamide?
The IUPAC name of 1-acetyl-6-methylpiperidine-3-carboximidamide (CID 154943198) is 1-acetyl-6-methylpiperidine-3-carboximidamide.
What is the SMILES notation for 1-acetyl-6-methylpiperidine-3-carboximidamide?
The canonical SMILES for 1-acetyl-6-methylpiperidine-3-carboximidamide is [H]/N=C(\N)C1CCC(C)N(C(C)=O)C1.
What is the InChIKey of 1-acetyl-6-methylpiperidine-3-carboximidamide?
The InChIKey is BLHGCRSIXFOZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6-3-4-8(9(10)11)5-12(6)7(2)13/h6,8H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 1-acetyl-6-methylpiperidine-3-carboximidamide?
1-acetyl-6-methylpiperidine-3-carboximidamide has a molecular weight of 183.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-methylpiperidine-3-carboximidamide is sourced from PubChem (CID 154943198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).