5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one

C14H15F3N2O2 — CID 158508457

IUPAC5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one
SMILESC=C1NC(=O)CCC1Nc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c1-8-12(3-4-13(20)18-8)19-10-5-9(14(15,16)17)6-11(7-10)21-2/h5-7,12,19H,1,3-4H2,2H3,(H,18,20)
InChIKeySIFVRJYLCFRPHG-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.92
Rot. Bonds3

About 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one

5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one (PubChem CID 158508457) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one
PubChem CID158508457
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one
SMILESC=C1NC(=O)CCC1Nc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c1-8-12(3-4-13(20)18-8)19-10-5-9(14(15,16)17)6-11(7-10)21-2/h5-7,12,19H,1,3-4H2,2H3,(H,18,20)
InChIKeySIFVRJYLCFRPHG-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one?
The IUPAC name of 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one (CID 158508457) is 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one.
What is the SMILES notation for 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one?
The canonical SMILES for 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one is C=C1NC(=O)CCC1Nc1cc(OC)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one?
The InChIKey is SIFVRJYLCFRPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-8-12(3-4-13(20)18-8)19-10-5-9(14(15,16)17)6-11(7-10)21-2/h5-7,12,19H,1,3-4H2,2H3,(H,18,20).
What are the key properties of 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one?
5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one has a molecular weight of 300.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 158508457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).