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

C24H27FN2O3 — CID 17118443

IUPAC1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CCC2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-21-10-4-17(5-11-21)2-3-18-12-14-26(15-13-18)22-16-23(28)27(24(22)29)20-8-6-19(25)7-9-20/h4-11,18,22H,2-3,12-16H2,1H3
InChIKeyVQDFGASYISOMOX-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.81
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 17118443) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID17118443
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CCC2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-21-10-4-17(5-11-21)2-3-18-12-14-26(15-13-18)22-16-23(28)27(24(22)29)20-8-6-19(25)7-9-20/h4-11,18,22H,2-3,12-16H2,1H3
InChIKeyVQDFGASYISOMOX-UHFFFAOYSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.81
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-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 5306088
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1258456
1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 5306089
ethyl 4-[(3R)-3-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 41284746
1-(4-methoxyphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2732615
(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358060
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1300263
(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 98263453
(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
CID 7353562
(3R)-1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 7348439

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (CID 17118443) is 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is COc1ccc(CCC2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is VQDFGASYISOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-30-21-10-4-17(5-11-21)2-3-18-12-14-26(15-13-18)22-16-23(28)27(24(22)29)20-8-6-19(25)7-9-20/h4-11,18,22H,2-3,12-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 410.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 17118443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).