1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C23H29FN2O3 — CID 45168326

IUPAC1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1CCN(C(=O)CC2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1
InChIInChI=1S/C23H29FN2O3/c1-16-9-11-25(12-10-16)20(27)14-23(17-5-4-6-18(24)13-17)15-21(28)26(22(23)29)19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14-15H2,1H3
InChIKeyNMAGWVIKNHZBBU-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.41
Rot. Bonds4

About 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45168326) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45168326
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1CCN(C(=O)CC2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1
InChIInChI=1S/C23H29FN2O3/c1-16-9-11-25(12-10-16)20(27)14-23(17-5-4-6-18(24)13-17)15-21(28)26(22(23)29)19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14-15H2,1H3
InChIKeyNMAGWVIKNHZBBU-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 45168326) is 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is CC1CCN(C(=O)CC2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1.
What is the InChIKey of 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NMAGWVIKNHZBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-16-9-11-25(12-10-16)20(27)14-23(17-5-4-6-18(24)13-17)15-21(28)26(22(23)29)19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14-15H2,1H3.
What are the key properties of 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 400.49 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 1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45168326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).