(2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide

C15H21F3N2O — CID 143291015

IUPAC(2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide
SMILESC/C(=C\C=C(/C=C/N1CCC(C)CC1)C(F)(F)F)C(N)=O
InChIInChI=1S/C15H21F3N2O/c1-11-5-8-20(9-6-11)10-7-13(15(16,17)18)4-3-12(2)14(19)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H2,19,21)/b10-7+,12-3+,13-4+
InChIKeySFKNZPYFHXWFPI-HTOVRINOSA-N
MW302.34 g/mol
LogP3.15
Rot. Bonds4

About (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide

(2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide (PubChem CID 143291015) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide
PubChem CID143291015
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide
SMILESC/C(=C\C=C(/C=C/N1CCC(C)CC1)C(F)(F)F)C(N)=O
InChIInChI=1S/C15H21F3N2O/c1-11-5-8-20(9-6-11)10-7-13(15(16,17)18)4-3-12(2)14(19)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H2,19,21)/b10-7+,12-3+,13-4+
InChIKeySFKNZPYFHXWFPI-HTOVRINOSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide?
The IUPAC name of (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide (CID 143291015) is (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide is C/C(=C\C=C(/C=C/N1CCC(C)CC1)C(F)(F)F)C(N)=O.
What is the InChIKey of (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide?
The InChIKey is SFKNZPYFHXWFPI-HTOVRINOSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-5-8-20(9-6-11)10-7-13(15(16,17)18)4-3-12(2)14(19)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H2,19,21)/b10-7+,12-3+,13-4+.
What are the key properties of (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide?
(2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide has a molecular weight of 302.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide is sourced from PubChem (CID 143291015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).