(3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione

C23H23FN2O4 — CID 98132547

IUPAC(3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCC(Oc4ccccc4F)CC3)c2)C1=O
InChIInChI=1S/C23H23FN2O4/c1-15-13-21(27)26(22(15)28)17-6-4-5-16(14-17)23(29)25-11-9-18(10-12-25)30-20-8-3-2-7-19(20)24/h2-8,14-15,18H,9-13H2,1H3/t15-/m1/s1
InChIKeyWSTKZRSATSGIOH-OAHLLOKOSA-N
MW410.45 g/mol
LogP3.41
Rot. Bonds4

About (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione

(3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 98132547) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
PubChem CID98132547
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name(3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCC(Oc4ccccc4F)CC3)c2)C1=O
InChIInChI=1S/C23H23FN2O4/c1-15-13-21(27)26(22(15)28)17-6-4-5-16(14-17)23(29)25-11-9-18(10-12-25)30-20-8-3-2-7-19(20)24/h2-8,14-15,18H,9-13H2,1H3/t15-/m1/s1
InChIKeyWSTKZRSATSGIOH-OAHLLOKOSA-N
XLogP3.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.41
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-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 7026148
1-[3-[2-(azepan-1-ylmethyl)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 46957873
(4S)-2-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 42228069
(4-chlorophenyl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616739
2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 4266311
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
(1R,2R,6S,7S)-4-[3-(4-methylpiperidine-1-carbonyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1217050
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 5300778
(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 46957568
1-[3-[(3aS,5R,6R,7aR)-5-(2-fluorophenoxy)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]phenyl]imidazolidin-2-one
CID 176506796
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione (CID 98132547) is (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione is C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCC(Oc4ccccc4F)CC3)c2)C1=O.
What is the InChIKey of (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is WSTKZRSATSGIOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-15-13-21(27)26(22(15)28)17-6-4-5-16(14-17)23(29)25-11-9-18(10-12-25)30-20-8-3-2-7-19(20)24/h2-8,14-15,18H,9-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione?
(3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 410.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 98132547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).