2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C12H21N3O — CID 2061009

IUPAC2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CC#N)CC(C)(C)N1
InChIInChI=1S/C12H21N3O/c1-11(2)7-9(8-12(3,4)15-11)14-10(16)5-6-13/h9,15H,5,7-8H2,1-4H3,(H,14,16)
InChIKeyDYTSJZQXKPCSIP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.33
Rot. Bonds2

About 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 2061009) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID2061009
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CC#N)CC(C)(C)N1
InChIInChI=1S/C12H21N3O/c1-11(2)7-9(8-12(3,4)15-11)14-10(16)5-6-13/h9,15H,5,7-8H2,1-4H3,(H,14,16)
InChIKeyDYTSJZQXKPCSIP-UHFFFAOYSA-N
XLogP1.33
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)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 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 2061009) is 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)CC#N)CC(C)(C)N1.
What is the InChIKey of 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is DYTSJZQXKPCSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)7-9(8-12(3,4)15-11)14-10(16)5-6-13/h9,15H,5,7-8H2,1-4H3,(H,14,16).
What are the key properties of 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 2061009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).