N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide

C16H28N2O — CID 22755909

IUPACN-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide
SMILESC/C=C/CNC(=O)C=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H28N2O/c1-7-8-9-17-14(19)10-13-11-15(2,3)18(6)16(4,5)12-13/h7-8,10H,9,11-12H2,1-6H3,(H,17,19)/b8-7+
InChIKeyKCVLCVCVSXHYSP-BQYQJAHWSA-N
MW264.41 g/mol
LogP2.89
Rot. Bonds3

About N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide

N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide (PubChem CID 22755909) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide
PubChem CID22755909
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide
SMILESC/C=C/CNC(=O)C=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H28N2O/c1-7-8-9-17-14(19)10-13-11-15(2,3)18(6)16(4,5)12-13/h7-8,10H,9,11-12H2,1-6H3,(H,17,19)/b8-7+
InChIKeyKCVLCVCVSXHYSP-BQYQJAHWSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide (CID 22755909) is N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide is C/C=C/CNC(=O)C=C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
The InChIKey is KCVLCVCVSXHYSP-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-8-9-17-14(19)10-13-11-15(2,3)18(6)16(4,5)12-13/h7-8,10H,9,11-12H2,1-6H3,(H,17,19)/b8-7+.
What are the key properties of N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide has a molecular weight of 264.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide is sourced from PubChem (CID 22755909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).