2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide

C15H28N2O — CID 123256546

IUPAC2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide
SMILESC=CC(CC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H28N2O/c1-7-11(8-2)13(18)16-12-9-14(3,4)17-15(5,6)10-12/h7,11-12,17H,1,8-10H2,2-6H3,(H,16,18)
InChIKeySQJRPAHRCHDUTF-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.62
Rot. Bonds4

About 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide

2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide (PubChem CID 123256546) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide.

Molecular Properties

Compound Name2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide
PubChem CID123256546
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide
SMILESC=CC(CC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H28N2O/c1-7-11(8-2)13(18)16-12-9-14(3,4)17-15(5,6)10-12/h7,11-12,17H,1,8-10H2,2-6H3,(H,16,18)
InChIKeySQJRPAHRCHDUTF-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide?
The IUPAC name of 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide (CID 123256546) is 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide.
What is the SMILES notation for 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide?
The canonical SMILES for 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide is C=CC(CC)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide?
The InChIKey is SQJRPAHRCHDUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-11(8-2)13(18)16-12-9-14(3,4)17-15(5,6)10-12/h7,11-12,17H,1,8-10H2,2-6H3,(H,16,18).
What are the key properties of 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide?
2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide has a molecular weight of 252.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-3-enamide is sourced from PubChem (CID 123256546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).