(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione

C24H26FN3O3 — CID 42322122

IUPAC(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@@H](C(=O)N1CCC([C@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1)c1ccccc1
InChIInChI=1S/C24H26FN3O3/c1-16(17-7-3-2-4-8-17)21(29)28-13-11-19(12-14-28)24(22(30)26-23(31)27-24)15-18-9-5-6-10-20(18)25/h2-10,16,19H,11-15H2,1H3,(H2,26,27,30,31)/t16-,24+/m1/s1
InChIKeyVGZVFRHOKBIADE-GYCJOSAFSA-N
MW423.49 g/mol
LogP2.99
Rot. Bonds5

About (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42322122) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42322122
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@@H](C(=O)N1CCC([C@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1)c1ccccc1
InChIInChI=1S/C24H26FN3O3/c1-16(17-7-3-2-4-8-17)21(29)28-13-11-19(12-14-28)24(22(30)26-23(31)27-24)15-18-9-5-6-10-20(18)25/h2-10,16,19H,11-15H2,1H3,(H2,26,27,30,31)/t16-,24+/m1/s1
InChIKeyVGZVFRHOKBIADE-GYCJOSAFSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.99
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)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42163156
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26277872
5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 45202560
5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126463708
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45206652
5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopropylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56854186
5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 45196872
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
3-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136822642
(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one
CID 99855905
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42322122) is (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione is C[C@@H](C(=O)N1CCC([C@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1)c1ccccc1.
What is the InChIKey of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is VGZVFRHOKBIADE-GYCJOSAFSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-16(17-7-3-2-4-8-17)21(29)28-13-11-19(12-14-28)24(22(30)26-23(31)27-24)15-18-9-5-6-10-20(18)25/h2-10,16,19H,11-15H2,1H3,(H2,26,27,30,31)/t16-,24+/m1/s1.
What are the key properties of (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 423.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42322122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).