2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide

C13H19F3N2O — CID 123222641

IUPAC2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide
SMILESC=C(C=C(C)C1CCNCC1)CNC(=O)C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-9(8-18-12(19)13(14,15)16)7-10(2)11-3-5-17-6-4-11/h7,11,17H,1,3-6,8H2,2H3,(H,18,19)
InChIKeyJCBVRCJXLWVJGU-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.17
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide

2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide (PubChem CID 123222641) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide
PubChem CID123222641
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide
SMILESC=C(C=C(C)C1CCNCC1)CNC(=O)C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-9(8-18-12(19)13(14,15)16)7-10(2)11-3-5-17-6-4-11/h7,11,17H,1,3-6,8H2,2H3,(H,18,19)
InChIKeyJCBVRCJXLWVJGU-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide (CID 123222641) is 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide is C=C(C=C(C)C1CCNCC1)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide?
The InChIKey is JCBVRCJXLWVJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-9(8-18-12(19)13(14,15)16)7-10(2)11-3-5-17-6-4-11/h7,11,17H,1,3-6,8H2,2H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide?
2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide has a molecular weight of 276.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide is sourced from PubChem (CID 123222641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).