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

C24H26F2N2O3 — CID 5306088

IUPAC3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1
InChIInChI=1S/C24H26F2N2O3/c1-31-21-6-4-20(5-7-21)28-23(29)15-22(24(28)30)27-10-8-16(9-11-27)2-3-17-12-18(25)14-19(26)13-17/h4-7,12-14,16,22H,2-3,8-11,15H2,1H3
InChIKeyIPWHZSURTCABRP-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.95
Rot. Bonds6

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

3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 5306088) has the molecular formula C24H26F2N2O3 and a molecular weight of 428.48 g/mol. Its IUPAC name is 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID5306088
Molecular FormulaC24H26F2N2O3
Molecular Weight428.48 g/mol
Exact Mass428.19
IUPAC Name3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1
InChIInChI=1S/C24H26F2N2O3/c1-31-21-6-4-20(5-7-21)28-23(29)15-22(24(28)30)27-10-8-16(9-11-27)2-3-17-12-18(25)14-19(26)13-17/h4-7,12-14,16,22H,2-3,8-11,15H2,1H3
InChIKeyIPWHZSURTCABRP-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.95
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

1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 17118443
1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 5306089
(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-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
(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-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227
ethyl 4-[(3R)-3-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 41284746
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1098219

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 5306088) is 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1.
What is the InChIKey of 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is IPWHZSURTCABRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O3/c1-31-21-6-4-20(5-7-21)28-23(29)15-22(24(28)30)27-10-8-16(9-11-27)2-3-17-12-18(25)14-19(26)13-17/h4-7,12-14,16,22H,2-3,8-11,15H2,1H3.
What are the key properties of 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 428.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5306088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).