3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one

C23H26F2N2O2 — CID 118225552

IUPAC3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccc(F)cc1)N1CCC(N2CCC(c3ccc(O)cc3)[C@H](F)C2)C1=O
InChIInChI=1S/C23H26F2N2O2/c1-15(16-2-6-18(24)7-3-16)27-13-11-22(23(27)29)26-12-10-20(21(25)14-26)17-4-8-19(28)9-5-17/h2-9,15,20-22,28H,10-14H2,1H3/t15-,20?,21+,22?/m0/s1
InChIKeyXLERPYDVNGAEHV-RAYAYOPJSA-N
MW400.47 g/mol
LogP4.02
Rot. Bonds4

About 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one

3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 118225552) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID118225552
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccc(F)cc1)N1CCC(N2CCC(c3ccc(O)cc3)[C@H](F)C2)C1=O
InChIInChI=1S/C23H26F2N2O2/c1-15(16-2-6-18(24)7-3-16)27-13-11-22(23(27)29)26-12-10-20(21(25)14-26)17-4-8-19(28)9-5-17/h2-9,15,20-22,28H,10-14H2,1H3/t15-,20?,21+,22?/m0/s1
InChIKeyXLERPYDVNGAEHV-RAYAYOPJSA-N
XLogP4.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-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 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 118225552) is 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one is C[C@@H](c1ccc(F)cc1)N1CCC(N2CCC(c3ccc(O)cc3)[C@H](F)C2)C1=O.
What is the InChIKey of 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is XLERPYDVNGAEHV-RAYAYOPJSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c1-15(16-2-6-18(24)7-3-16)27-13-11-22(23(27)29)26-12-10-20(21(25)14-26)17-4-8-19(28)9-5-17/h2-9,15,20-22,28H,10-14H2,1H3/t15-,20?,21+,22?/m0/s1.
What are the key properties of 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 400.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 118225552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).