(E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide

C14H26N2O — CID 18521170

IUPAC(E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H26N2O/c1-7-8-12(17)15-11-9-13(2,3)16(6)14(4,5)10-11/h7-8,11H,9-10H2,1-6H3,(H,15,17)/b8-7+
InChIKeyXJCMOIYMAUJTEV-BQYQJAHWSA-N
MW238.37 g/mol
LogP2.33
Rot. Bonds2

About (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide

(E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide (PubChem CID 18521170) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide
PubChem CID18521170
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H26N2O/c1-7-8-12(17)15-11-9-13(2,3)16(6)14(4,5)10-11/h7-8,11H,9-10H2,1-6H3,(H,15,17)/b8-7+
InChIKeyXJCMOIYMAUJTEV-BQYQJAHWSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.33
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-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide?
The IUPAC name of (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide (CID 18521170) is (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide is C/C=C/C(=O)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide?
The InChIKey is XJCMOIYMAUJTEV-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26N2O/c1-7-8-12(17)15-11-9-13(2,3)16(6)14(4,5)10-11/h7-8,11H,9-10H2,1-6H3,(H,15,17)/b8-7+.
What are the key properties of (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide?
(E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide has a molecular weight of 238.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enamide is sourced from PubChem (CID 18521170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).