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

C22H24FN3O3 — CID 1258456

IUPAC(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-29-19-8-6-18(7-9-19)26-21(27)14-20(22(26)28)25-12-10-17(11-13-25)24-16-4-2-15(23)3-5-16/h2-9,17,20,24H,10-14H2,1H3/t20-/m1/s1
InChIKeyQUYPBQCVCNEKBP-HXUWFJFHSA-N
MW397.45 g/mol
LogP3.04
Rot. Bonds5

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

(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 1258456) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID1258456
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-29-19-8-6-18(7-9-19)26-21(27)14-20(22(26)28)25-12-10-17(11-13-25)24-16-4-2-15(23)3-5-16/h2-9,17,20,24H,10-14H2,1H3/t20-/m1/s1
InChIKeyQUYPBQCVCNEKBP-HXUWFJFHSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

ethyl 4-[(3S)-3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27914302
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3S)-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 7298601
1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 17118443
methyl 4-[(3R)-3-[4-(4-ethoxyanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27890675
(3R)-3-[4-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 42587134
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
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227
3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 5306088
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
(3S)-3-[4-(2-fluoroanilino)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7348201

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 1258456) is (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1.
What is the InChIKey of (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is QUYPBQCVCNEKBP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-29-19-8-6-18(7-9-19)26-21(27)14-20(22(26)28)25-12-10-17(11-13-25)24-16-4-2-15(23)3-5-16/h2-9,17,20,24H,10-14H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 397.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1258456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).