2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide

C16H28N2O — CID 123147882

IUPAC2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide
SMILESCC=CC(=CC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H28N2O/c1-7-9-12(8-2)14(19)17-13-10-15(3,4)18-16(5,6)11-13/h7-9,13,18H,10-11H2,1-6H3,(H,17,19)
InChIKeyKRAHXQDYCSVYBZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.93
Rot. Bonds3

About 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide

2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide (PubChem CID 123147882) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide.

Molecular Properties

Compound Name2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide
PubChem CID123147882
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide
SMILESCC=CC(=CC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H28N2O/c1-7-9-12(8-2)14(19)17-13-10-15(3,4)18-16(5,6)11-13/h7-9,13,18H,10-11H2,1-6H3,(H,17,19)
InChIKeyKRAHXQDYCSVYBZ-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide?
The IUPAC name of 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide (CID 123147882) is 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide.
What is the SMILES notation for 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide?
The canonical SMILES for 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide is CC=CC(=CC)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide?
The InChIKey is KRAHXQDYCSVYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-9-12(8-2)14(19)17-13-10-15(3,4)18-16(5,6)11-13/h7-9,13,18H,10-11H2,1-6H3,(H,17,19).
What are the key properties of 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide?
2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide has a molecular weight of 264.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide is sourced from PubChem (CID 123147882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).