1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C20H26FN3O3 — CID 56863374

IUPAC1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CC(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H26FN3O3/c1-20(2)18(26)22-19(27)24(20)13-17(25)23-11-3-4-15(12-23)6-5-14-7-9-16(21)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3,(H,22,26,27)
InChIKeyDYKDJVKYJSSGSL-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 56863374) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID56863374
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CC(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H26FN3O3/c1-20(2)18(26)22-19(27)24(20)13-17(25)23-11-3-4-15(12-23)6-5-14-7-9-16(21)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3,(H,22,26,27)
InChIKeyDYKDJVKYJSSGSL-UHFFFAOYSA-N
XLogP2.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 56863374) is 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is DYKDJVKYJSSGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-20(2)18(26)22-19(27)24(20)13-17(25)23-11-3-4-15(12-23)6-5-14-7-9-16(21)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3,(H,22,26,27).
What are the key properties of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 375.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 56863374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).