3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione

C14H14F3NO3 — CID 158815109

IUPAC3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione
SMILESCOc1cc(CC2CCC(=O)NC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-21-11-6-8(5-10(7-11)14(15,16)17)4-9-2-3-12(19)18-13(9)20/h5-7,9H,2-4H2,1H3,(H,18,19,20)
InChIKeyIVEAUFCSVAOWMF-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.31
Rot. Bonds3

About 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione

3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione (PubChem CID 158815109) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione
PubChem CID158815109
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione
SMILESCOc1cc(CC2CCC(=O)NC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-21-11-6-8(5-10(7-11)14(15,16)17)4-9-2-3-12(19)18-13(9)20/h5-7,9H,2-4H2,1H3,(H,18,19,20)
InChIKeyIVEAUFCSVAOWMF-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione?
The IUPAC name of 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione (CID 158815109) is 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione is COc1cc(CC2CCC(=O)NC2=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione?
The InChIKey is IVEAUFCSVAOWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-21-11-6-8(5-10(7-11)14(15,16)17)4-9-2-3-12(19)18-13(9)20/h5-7,9H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione?
3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione has a molecular weight of 301.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 158815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).