N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide

C11H22N3O+ — CID 6920285

IUPACN-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide
SMILESCC(=O)NN=C1CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C11H21N3O/c1-8(15)12-13-9-6-10(2,3)14-11(4,5)7-9/h14H,6-7H2,1-5H3,(H,12,15)/p+1
InChIKeyOAAUYSPFTODVTC-UHFFFAOYSA-O
MW212.32 g/mol
LogP0.39
Rot. Bonds1

About N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide

N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide (PubChem CID 6920285) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide
PubChem CID6920285
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC NameN-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide
SMILESCC(=O)NN=C1CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C11H21N3O/c1-8(15)12-13-9-6-10(2,3)14-11(4,5)7-9/h14H,6-7H2,1-5H3,(H,12,15)/p+1
InChIKeyOAAUYSPFTODVTC-UHFFFAOYSA-O
XLogP0.39
TPSA58.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide 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 N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide?
The IUPAC name of N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide (CID 6920285) is N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide.
What is the SMILES notation for N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide?
The canonical SMILES for N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide is CC(=O)NN=C1CC(C)(C)[NH2+]C(C)(C)C1.
What is the InChIKey of N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide?
The InChIKey is OAAUYSPFTODVTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O/c1-8(15)12-13-9-6-10(2,3)14-11(4,5)7-9/h14H,6-7H2,1-5H3,(H,12,15)/p+1.
What are the key properties of N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide?
N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide has a molecular weight of 212.32 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]acetamide is sourced from PubChem (CID 6920285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).