3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

C26H29FN2O4 — CID 45193564

IUPAC3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCCC(c3ccccc3)C2)(c2ccccc2F)C1=O
InChIInChI=1S/C26H29FN2O4/c1-33-15-14-29-24(31)17-26(25(29)32,21-11-5-6-12-22(21)27)16-23(30)28-13-7-10-20(18-28)19-8-3-2-4-9-19/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3
InChIKeyMCUALZXKYDXEKN-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.27
Rot. Bonds7

About 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 45193564) has the molecular formula C26H29FN2O4 and a molecular weight of 452.53 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID45193564
Molecular FormulaC26H29FN2O4
Molecular Weight452.53 g/mol
Exact Mass452.21
IUPAC Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCCC(c3ccccc3)C2)(c2ccccc2F)C1=O
InChIInChI=1S/C26H29FN2O4/c1-33-15-14-29-24(31)17-26(25(29)32,21-11-5-6-12-22(21)27)16-23(30)28-13-7-10-20(18-28)19-8-3-2-4-9-19/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3
InChIKeyMCUALZXKYDXEKN-UHFFFAOYSA-N
XLogP3.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 45193564) is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is COCCN1C(=O)CC(CC(=O)N2CCCC(c3ccccc3)C2)(c2ccccc2F)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is MCUALZXKYDXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4/c1-33-15-14-29-24(31)17-26(25(29)32,21-11-5-6-12-22(21)27)16-23(30)28-13-7-10-20(18-28)19-8-3-2-4-9-19/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 452.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-phenylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45193564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).