3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione

C15H17F3N2O2 — CID 170232008

IUPAC3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione
SMILESC=C/C=C(\C=C(/C=C)N(C)C1CCC(=O)NC1=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-4-6-10(15(16,17)18)9-11(5-2)20(3)12-7-8-13(21)19-14(12)22/h4-6,9,12H,1-2,7-8H2,3H3,(H,19,21,22)/b10-6+,11-9+
InChIKeyYAGUWDRNIHMGEB-BBYAVRKXSA-N
MW314.31 g/mol
LogP2.47
Rot. Bonds5

About 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione

3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione (PubChem CID 170232008) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione
PubChem CID170232008
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione
SMILESC=C/C=C(\C=C(/C=C)N(C)C1CCC(=O)NC1=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-4-6-10(15(16,17)18)9-11(5-2)20(3)12-7-8-13(21)19-14(12)22/h4-6,9,12H,1-2,7-8H2,3H3,(H,19,21,22)/b10-6+,11-9+
InChIKeyYAGUWDRNIHMGEB-BBYAVRKXSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione (CID 170232008) is 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione is C=C/C=C(\C=C(/C=C)N(C)C1CCC(=O)NC1=O)C(F)(F)F.
What is the InChIKey of 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione?
The InChIKey is YAGUWDRNIHMGEB-BBYAVRKXSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-4-6-10(15(16,17)18)9-11(5-2)20(3)12-7-8-13(21)19-14(12)22/h4-6,9,12H,1-2,7-8H2,3H3,(H,19,21,22)/b10-6+,11-9+.
What are the key properties of 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione?
3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione has a molecular weight of 314.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 170232008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).