(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione

C22H23FN2O2 — CID 7357524

IUPAC(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)18-10-12-24(13-11-18)20-14-21(26)25(22(20)27)15-16-4-2-1-3-5-16/h1-9,18,20H,10-15H2/t20-/m0/s1
InChIKeyBYRVOLCUGQWYLW-FQEVSTJZSA-N
MW366.44 g/mol
LogP3.33
Rot. Bonds4

About (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione

(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 7357524) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID7357524
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)18-10-12-24(13-11-18)20-14-21(26)25(22(20)27)15-16-4-2-1-3-5-16/h1-9,18,20H,10-15H2/t20-/m0/s1
InChIKeyBYRVOLCUGQWYLW-FQEVSTJZSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
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 (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 7357524) is (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@H](N2CCC(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is BYRVOLCUGQWYLW-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)18-10-12-24(13-11-18)20-14-21(26)25(22(20)27)15-16-4-2-1-3-5-16/h1-9,18,20H,10-15H2/t20-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 366.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7357524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).