(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

C15H18FN3O2 — CID 95221329

IUPAC(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](Cc2cccc(F)c2)(C2CCNCC2)N1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-10(8-12)9-15(11-4-6-17-7-5-11)13(20)18-14(21)19-15/h1-3,8,11,17H,4-7,9H2,(H2,18,19,20,21)/t15-/m1/s1
InChIKeyZZAZDGLWQGBVGB-OAHLLOKOSA-N
MW291.33 g/mol
LogP0.95
Rot. Bonds3

About (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95221329) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95221329
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](Cc2cccc(F)c2)(C2CCNCC2)N1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-10(8-12)9-15(11-4-6-17-7-5-11)13(20)18-14(21)19-15/h1-3,8,11,17H,4-7,9H2,(H2,18,19,20,21)/t15-/m1/s1
InChIKeyZZAZDGLWQGBVGB-OAHLLOKOSA-N
XLogP0.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56715890
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42163156
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95222574
5-[2-(3-fluorophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 141409275
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
(5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 42192493
(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 95215117
1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 50742706

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95221329) is (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1NC(=O)[C@@](Cc2cccc(F)c2)(C2CCNCC2)N1.
What is the InChIKey of (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is ZZAZDGLWQGBVGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-3-1-2-10(8-12)9-15(11-4-6-17-7-5-11)13(20)18-14(21)19-15/h1-3,8,11,17H,4-7,9H2,(H2,18,19,20,21)/t15-/m1/s1.
What are the key properties of (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 291.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95221329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).