(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C24H26FN3O3 — CID 42163156

IUPAC(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cccc(CC(=O)N2CCC([C@@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c1
InChIInChI=1S/C24H26FN3O3/c1-16-5-4-6-17(13-16)14-21(29)28-11-9-19(10-12-28)24(22(30)26-23(31)27-24)15-18-7-2-3-8-20(18)25/h2-8,13,19H,9-12,14-15H2,1H3,(H2,26,27,30,31)/t24-/m1/s1
InChIKeyPKVHQUPPSGRELD-XMMPIXPASA-N
MW423.49 g/mol
LogP2.74
Rot. Bonds5

About (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42163156) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42163156
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cccc(CC(=O)N2CCC([C@@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c1
InChIInChI=1S/C24H26FN3O3/c1-16-5-4-6-17(13-16)14-21(29)28-11-9-19(10-12-28)24(22(30)26-23(31)27-24)15-18-7-2-3-8-20(18)25/h2-8,13,19H,9-12,14-15H2,1H3,(H2,26,27,30,31)/t24-/m1/s1
InChIKeyPKVHQUPPSGRELD-XMMPIXPASA-N
XLogP2.74
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 ≤ 52.74
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

(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26277872
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42322122
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 45202560
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
(5S)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-3-[(3S)-oxolan-3-yl]imidazolidine-2,4-dione
CID 26277788
(5S)-5-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42454799
5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopropylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56854186
5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126463708
5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126462350
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42163156) is (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1cccc(CC(=O)N2CCC([C@@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c1.
What is the InChIKey of (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is PKVHQUPPSGRELD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-16-5-4-6-17(13-16)14-21(29)28-11-9-19(10-12-28)24(22(30)26-23(31)27-24)15-18-7-2-3-8-20(18)25/h2-8,13,19H,9-12,14-15H2,1H3,(H2,26,27,30,31)/t24-/m1/s1.
What are the key properties of (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 423.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42163156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).