[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

C17H18F4N2O4 — CID 171523963

IUPAC[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(OC(F)(F)F)cc1)N1C[C@@H](F)C[C@@H](N2CCCC2=O)C1
InChIInChI=1S/C17H18F4N2O4/c18-11-8-12(23-7-1-2-15(23)24)10-22(9-11)16(25)26-13-3-5-14(6-4-13)27-17(19,20)21/h3-6,11-12H,1-2,7-10H2/t11-,12+/m0/s1
InChIKeyUIPLKTBIBZEATA-NWDGAFQWSA-N
MW390.33 g/mol
LogP3.12
Rot. Bonds3

About [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523963) has the molecular formula C17H18F4N2O4 and a molecular weight of 390.33 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID171523963
Molecular FormulaC17H18F4N2O4
Molecular Weight390.33 g/mol
Exact Mass390.12
IUPAC Name[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(OC(F)(F)F)cc1)N1C[C@@H](F)C[C@@H](N2CCCC2=O)C1
InChIInChI=1S/C17H18F4N2O4/c18-11-8-12(23-7-1-2-15(23)24)10-22(9-11)16(25)26-13-3-5-14(6-4-13)27-17(19,20)21/h3-6,11-12H,1-2,7-10H2/t11-,12+/m0/s1
InChIKeyUIPLKTBIBZEATA-NWDGAFQWSA-N
XLogP3.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate 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 [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 171523963) is [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is O=C(Oc1ccc(OC(F)(F)F)cc1)N1C[C@@H](F)C[C@@H](N2CCCC2=O)C1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is UIPLKTBIBZEATA-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H18F4N2O4/c18-11-8-12(23-7-1-2-15(23)24)10-22(9-11)16(25)26-13-3-5-14(6-4-13)27-17(19,20)21/h3-6,11-12H,1-2,7-10H2/t11-,12+/m0/s1.
What are the key properties of [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 390.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).