3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C25H27F3N2O4 — CID 2882226

IUPAC3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1
InChIInChI=1S/C25H27F3N2O4/c1-2-14-34-20-8-6-19(7-9-20)30-22(31)16-21(23(30)32)29-12-10-24(33,11-13-29)17-4-3-5-18(15-17)25(26,27)28/h3-9,15,21,33H,2,10-14,16H2,1H3
InChIKeyZPMMMGRZQPOWTP-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.11
Rot. Bonds6

About 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2882226) has the molecular formula C25H27F3N2O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2882226
Molecular FormulaC25H27F3N2O4
Molecular Weight476.50 g/mol
Exact Mass476.19
IUPAC Name3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1
InChIInChI=1S/C25H27F3N2O4/c1-2-14-34-20-8-6-19(7-9-20)30-22(31)16-21(23(30)32)29-12-10-24(33,11-13-29)17-4-3-5-18(15-17)25(26,27)28/h3-9,15,21,33H,2,10-14,16H2,1H3
InChIKeyZPMMMGRZQPOWTP-UHFFFAOYSA-N
XLogP4.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 2882226) is 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1.
What is the InChIKey of 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is ZPMMMGRZQPOWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O4/c1-2-14-34-20-8-6-19(7-9-20)30-22(31)16-21(23(30)32)29-12-10-24(33,11-13-29)17-4-3-5-18(15-17)25(26,27)28/h3-9,15,21,33H,2,10-14,16H2,1H3.
What are the key properties of 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 476.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2882226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).