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

C22H30FN3O2 — CID 45212959

IUPAC3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCN1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1
InChIInChI=1S/C22H30FN3O2/c1-2-25-13-11-17(12-14-25)22(15-16-7-9-18(23)10-8-16)20(27)26(21(28)24-22)19-5-3-4-6-19/h7-10,17,19H,2-6,11-15H2,1H3,(H,24,28)
InChIKeyPUHQLPBHISAZEY-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.33
Rot. Bonds5

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

3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 45212959) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID45212959
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCN1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1
InChIInChI=1S/C22H30FN3O2/c1-2-25-13-11-17(12-14-25)22(15-16-7-9-18(23)10-8-16)20(27)26(21(28)24-22)19-5-3-4-6-19/h7-10,17,19H,2-6,11-15H2,1H3,(H,24,28)
InChIKeyPUHQLPBHISAZEY-UHFFFAOYSA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.33
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 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 45212959) is 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is CCN1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1.
What is the InChIKey of 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is PUHQLPBHISAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-2-25-13-11-17(12-14-25)22(15-16-7-9-18(23)10-8-16)20(27)26(21(28)24-22)19-5-3-4-6-19/h7-10,17,19H,2-6,11-15H2,1H3,(H,24,28).
What are the key properties of 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 387.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(1-ethylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45212959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).