3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

C24H34FN3O2S — CID 45192458

IUPAC3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCSCCCN1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1
InChIInChI=1S/C24H34FN3O2S/c1-31-16-4-13-27-14-11-19(12-15-27)24(17-18-7-9-20(25)10-8-18)22(29)28(23(30)26-24)21-5-2-3-6-21/h7-10,19,21H,2-6,11-17H2,1H3,(H,26,30)
InChIKeyXLWBXGNJMZXDTB-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.07
Rot. Bonds8

About 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45192458) has the molecular formula C24H34FN3O2S and a molecular weight of 447.62 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45192458
Molecular FormulaC24H34FN3O2S
Molecular Weight447.62 g/mol
Exact Mass447.24
IUPAC Name3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCSCCCN1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1
InChIInChI=1S/C24H34FN3O2S/c1-31-16-4-13-27-14-11-19(12-15-27)24(17-18-7-9-20(25)10-8-18)22(29)28(23(30)26-24)21-5-2-3-6-21/h7-10,19,21H,2-6,11-17H2,1H3,(H,26,30)
InChIKeyXLWBXGNJMZXDTB-UHFFFAOYSA-N
XLogP4.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45192458) is 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is CSCCCN1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1.
What is the InChIKey of 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XLWBXGNJMZXDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O2S/c1-31-16-4-13-27-14-11-19(12-15-27)24(17-18-7-9-20(25)10-8-18)22(29)28(23(30)26-24)21-5-2-3-6-21/h7-10,19,21H,2-6,11-17H2,1H3,(H,26,30).
What are the key properties of 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 447.62 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45192458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).