(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione

C16H18F2N2O2 — CID 29158100

IUPAC(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione
SMILESC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C16H18F2N2O2/c1-10-3-2-6-19(9-10)14-8-15(21)20(16(14)22)11-4-5-12(17)13(18)7-11/h4-5,7,10,14H,2-3,6,8-9H2,1H3/t10-,14+/m0/s1
InChIKeyUPPUPRYAOMKZAB-IINYFYTJSA-N
MW308.33 g/mol
LogP2.33
Rot. Bonds2

About (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 29158100) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID29158100
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione
SMILESC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C16H18F2N2O2/c1-10-3-2-6-19(9-10)14-8-15(21)20(16(14)22)11-4-5-12(17)13(18)7-11/h4-5,7,10,14H,2-3,6,8-9H2,1H3/t10-,14+/m0/s1
InChIKeyUPPUPRYAOMKZAB-IINYFYTJSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.33
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 (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione (CID 29158100) is (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione is C[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1.
What is the InChIKey of (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is UPPUPRYAOMKZAB-IINYFYTJSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-10-3-2-6-19(9-10)14-8-15(21)20(16(14)22)11-4-5-12(17)13(18)7-11/h4-5,7,10,14H,2-3,6,8-9H2,1H3/t10-,14+/m0/s1.
What are the key properties of (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 308.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 29158100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).