(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

C19H26FN3O2 — CID 95219274

IUPAC(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(Cc2cc(C)ccc2F)C1=O
InChIInChI=1S/C19H26FN3O2/c1-3-8-19(15-6-9-21-10-7-15)17(24)23(18(25)22-19)12-14-11-13(2)4-5-16(14)20/h4-5,11,15,21H,3,6-10,12H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyWWOBVIPRXHRHBH-LJQANCHMSA-N
MW347.43 g/mol
LogP2.72
Rot. Bonds5

About (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (PubChem CID 95219274) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
PubChem CID95219274
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(Cc2cc(C)ccc2F)C1=O
InChIInChI=1S/C19H26FN3O2/c1-3-8-19(15-6-9-21-10-7-15)17(24)23(18(25)22-19)12-14-11-13(2)4-5-16(14)20/h4-5,11,15,21H,3,6-10,12H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyWWOBVIPRXHRHBH-LJQANCHMSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95219594
(5R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95204092
3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 56713349
(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95226226
4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile
CID 95223916
(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95206967
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45168671
5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56723279
5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56723377
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (CID 95219274) is (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCNCC2)NC(=O)N(Cc2cc(C)ccc2F)C1=O.
What is the InChIKey of (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The InChIKey is WWOBVIPRXHRHBH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-8-19(15-6-9-21-10-7-15)17(24)23(18(25)22-19)12-14-11-13(2)4-5-16(14)20/h4-5,11,15,21H,3,6-10,12H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione has a molecular weight of 347.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 95219274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).