(E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide

C17H28N2O2 — CID 18521165

IUPAC(E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide
SMILESC/C=C/C(=O)NC1CC(C)(C)N(C(=O)/C=C/C)C(C)(C)C1
InChIInChI=1S/C17H28N2O2/c1-7-9-14(20)18-13-11-16(3,4)19(15(21)10-8-2)17(5,6)12-13/h7-10,13H,11-12H2,1-6H3,(H,18,20)/b9-7+,10-8+
InChIKeyUHCPFFSWDFONRY-FIFLTTCUSA-N
MW292.42 g/mol
LogP2.80
Rot. Bonds3

About (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide

(E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide (PubChem CID 18521165) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide
PubChem CID18521165
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide
SMILESC/C=C/C(=O)NC1CC(C)(C)N(C(=O)/C=C/C)C(C)(C)C1
InChIInChI=1S/C17H28N2O2/c1-7-9-14(20)18-13-11-16(3,4)19(15(21)10-8-2)17(5,6)12-13/h7-10,13H,11-12H2,1-6H3,(H,18,20)/b9-7+,10-8+
InChIKeyUHCPFFSWDFONRY-FIFLTTCUSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide?
The IUPAC name of (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide (CID 18521165) is (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide?
The canonical SMILES for (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide is C/C=C/C(=O)NC1CC(C)(C)N(C(=O)/C=C/C)C(C)(C)C1.
What is the InChIKey of (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide?
The InChIKey is UHCPFFSWDFONRY-FIFLTTCUSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-9-14(20)18-13-11-16(3,4)19(15(21)10-8-2)17(5,6)12-13/h7-10,13H,11-12H2,1-6H3,(H,18,20)/b9-7+,10-8+.
What are the key properties of (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide?
(E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide has a molecular weight of 292.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[(E)-but-2-enoyl]-2,2,6,6-tetramethylpiperidin-4-yl]but-2-enamide is sourced from PubChem (CID 18521165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).