6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one

C18H18F3NO3 — CID 10760507

IUPAC6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one
SMILESO=C1CCCC(O)N1CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H18F3NO3/c19-18(20,21)13-6-4-12(5-7-13)15-9-8-14(25-15)10-11-22-16(23)2-1-3-17(22)24/h4-9,16,23H,1-3,10-11H2
InChIKeyLVUVNRCUSMAXSF-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.84
Rot. Bonds4

About 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one

6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one (PubChem CID 10760507) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one
PubChem CID10760507
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one
SMILESO=C1CCCC(O)N1CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H18F3NO3/c19-18(20,21)13-6-4-12(5-7-13)15-9-8-14(25-15)10-11-22-16(23)2-1-3-17(22)24/h4-9,16,23H,1-3,10-11H2
InChIKeyLVUVNRCUSMAXSF-UHFFFAOYSA-N
XLogP3.84
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one 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 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one?
The IUPAC name of 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one (CID 10760507) is 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one?
The canonical SMILES for 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one is O=C1CCCC(O)N1CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one?
The InChIKey is LVUVNRCUSMAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c19-18(20,21)13-6-4-12(5-7-13)15-9-8-14(25-15)10-11-22-16(23)2-1-3-17(22)24/h4-9,16,23H,1-3,10-11H2.
What are the key properties of 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one?
6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one has a molecular weight of 353.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 10760507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).