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

C22H23FN2O2 — CID 7357540

IUPAC(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)cc1
InChIInChI=1S/C22H23FN2O2/c1-15-2-8-19(9-3-15)25-21(26)14-20(22(25)27)24-12-10-17(11-13-24)16-4-6-18(23)7-5-16/h2-9,17,20H,10-14H2,1H3/t20-/m1/s1
InChIKeySTKJTSORPRNGOZ-HXUWFJFHSA-N
MW366.44 g/mol
LogP3.65
Rot. Bonds3

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

(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 7357540) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID7357540
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)cc1
InChIInChI=1S/C22H23FN2O2/c1-15-2-8-19(9-3-15)25-21(26)14-20(22(25)27)24-12-10-17(11-13-24)16-4-6-18(23)7-5-16/h2-9,17,20H,10-14H2,1H3/t20-/m1/s1
InChIKeySTKJTSORPRNGOZ-HXUWFJFHSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358060
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 692158
methyl 1-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 1221433
1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione
CID 167762202
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1022289
(3R)-1-(4-methylphenyl)-3-(3-oxopyrazolidin-1-yl)pyrrolidine-2,5-dione
CID 27830846
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072
(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332701

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 7357540) is (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)cc1.
What is the InChIKey of (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is STKJTSORPRNGOZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-2-8-19(9-3-15)25-21(26)14-20(22(25)27)24-12-10-17(11-13-24)16-4-6-18(23)7-5-16/h2-9,17,20H,10-14H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 366.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7357540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).