(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

C15H26FN3O2 — CID 95219594

IUPAC(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(CCCCF)C1=O
InChIInChI=1S/C15H26FN3O2/c1-2-7-15(12-5-9-17-10-6-12)13(20)19(14(21)18-15)11-4-3-8-16/h12,17H,2-11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyGIQJMZVGZYLYJT-OAHLLOKOSA-N
MW299.39 g/mol
LogP1.83
Rot. Bonds7

About (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (PubChem CID 95219594) has the molecular formula C15H26FN3O2 and a molecular weight of 299.39 g/mol. Its IUPAC name is (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
PubChem CID95219594
Molecular FormulaC15H26FN3O2
Molecular Weight299.39 g/mol
Exact Mass299.20
IUPAC Name(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(CCCCF)C1=O
InChIInChI=1S/C15H26FN3O2/c1-2-7-15(12-5-9-17-10-6-12)13(20)19(14(21)18-15)11-4-3-8-16/h12,17H,2-11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyGIQJMZVGZYLYJT-OAHLLOKOSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (CID 95219594) is (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCNCC2)NC(=O)N(CCCCF)C1=O.
What is the InChIKey of (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The InChIKey is GIQJMZVGZYLYJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26FN3O2/c1-2-7-15(12-5-9-17-10-6-12)13(20)19(14(21)18-15)11-4-3-8-16/h12,17H,2-11H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione has a molecular weight of 299.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 95219594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).