(3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione

C24H24ClFN2O4 — CID 125160353

IUPAC(3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@](CC(=O)N2CCC(Oc3cccc(F)c3)CC2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C24H24ClFN2O4/c1-27-21(29)14-24(23(27)31,19-7-2-3-8-20(19)25)15-22(30)28-11-9-17(10-12-28)32-18-6-4-5-16(26)13-18/h2-8,13,17H,9-12,14-15H2,1H3/t24-/m1/s1
InChIKeyGBESZUBHXJPPMZ-XMMPIXPASA-N
MW458.92 g/mol
LogP3.57
Rot. Bonds5

About (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione

(3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione (PubChem CID 125160353) has the molecular formula C24H24ClFN2O4 and a molecular weight of 458.92 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
PubChem CID125160353
Molecular FormulaC24H24ClFN2O4
Molecular Weight458.92 g/mol
Exact Mass458.14
IUPAC Name(3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@](CC(=O)N2CCC(Oc3cccc(F)c3)CC2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C24H24ClFN2O4/c1-27-21(29)14-24(23(27)31,19-7-2-3-8-20(19)25)15-22(30)28-11-9-17(10-12-28)32-18-6-4-5-16(26)13-18/h2-8,13,17H,9-12,14-15H2,1H3/t24-/m1/s1
InChIKeyGBESZUBHXJPPMZ-XMMPIXPASA-N
XLogP3.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45183466
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 42369572
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42192322
(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42317641
(3R)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 42449348
3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
CID 45223572
ethyl (2S)-1-[2-[(3S)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
CID 26338327
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
(3S)-3-(2-fluorophenyl)-1-methyl-3-[2-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 42169684
3-(2-chlorophenyl)-1-methyl-3-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45166152
2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 126464486
3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 46972537

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione (CID 125160353) is (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)C[C@@](CC(=O)N2CCC(Oc3cccc(F)c3)CC2)(c2ccccc2Cl)C1=O.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is GBESZUBHXJPPMZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24ClFN2O4/c1-27-21(29)14-24(23(27)31,19-7-2-3-8-20(19)25)15-22(30)28-11-9-17(10-12-28)32-18-6-4-5-16(26)13-18/h2-8,13,17H,9-12,14-15H2,1H3/t24-/m1/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione?
(3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 458.92 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 125160353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).