(E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide

C11H20N2O — CID 78907893

IUPAC(E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C11H20N2O/c1-4-6-11(14)12-13-9(2)7-5-8-10(13)3/h4,6,9-10H,5,7-8H2,1-3H3,(H,12,14)/b6-4+
InChIKeyNDXCUPHEUZOSHL-GQCTYLIASA-N
MW196.29 g/mol
LogP1.86
Rot. Bonds2

About (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide

(E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide (PubChem CID 78907893) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide
PubChem CID78907893
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C11H20N2O/c1-4-6-11(14)12-13-9(2)7-5-8-10(13)3/h4,6,9-10H,5,7-8H2,1-3H3,(H,12,14)/b6-4+
InChIKeyNDXCUPHEUZOSHL-GQCTYLIASA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide 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 (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide (CID 78907893) is (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide is C/C=C/C(=O)NN1C(C)CCCC1C.
What is the InChIKey of (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide?
The InChIKey is NDXCUPHEUZOSHL-GQCTYLIASA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-11(14)12-13-9(2)7-5-8-10(13)3/h4,6,9-10H,5,7-8H2,1-3H3,(H,12,14)/b6-4+.
What are the key properties of (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide?
(E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dimethylpiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 78907893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).