(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione

C22H23FN2O2 — CID 7372056

IUPAC(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C22H23FN2O2/c23-18-8-4-5-9-19(18)25-21(26)15-20(22(25)27)24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2/t20-/m1/s1
InChIKeyHHVGDXLQIMSRMS-HXUWFJFHSA-N
MW366.44 g/mol
LogP3.41
Rot. Bonds4

About (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione

(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 7372056) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID7372056
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C22H23FN2O2/c23-18-8-4-5-9-19(18)25-21(26)15-20(22(25)27)24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2/t20-/m1/s1
InChIKeyHHVGDXLQIMSRMS-HXUWFJFHSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.41
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

3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 2851208
(3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 7372057
2-[4-[3-(4-benzylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43861089
(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 1356764
3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione
CID 4228098
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1109081
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
CID 43794813
1-[(3S)-1-(2-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 27818551
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
(3S)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1291643
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235132

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione (CID 7372056) is (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccccc1F.
What is the InChIKey of (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is HHVGDXLQIMSRMS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-8-4-5-9-19(18)25-21(26)15-20(22(25)27)24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2/t20-/m1/s1.
What are the key properties of (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 366.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7372056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).