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

C25H28FN3O3 — CID 45180784

IUPAC5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCc2ccccc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)N1
InChIInChI=1S/C25H28FN3O3/c26-21-10-4-8-19(16-21)17-22(30)29-14-11-20(12-15-29)25(23(31)27-24(32)28-25)13-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17H2,(H2,27,28,31,32)
InChIKeyUNXHEXDYZAVKRQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.21
Rot. Bonds7

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

5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (PubChem CID 45180784) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
PubChem CID45180784
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCc2ccccc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)N1
InChIInChI=1S/C25H28FN3O3/c26-21-10-4-8-19(16-21)17-22(30)29-14-11-20(12-15-29)25(23(31)27-24(32)28-25)13-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17H2,(H2,27,28,31,32)
InChIKeyUNXHEXDYZAVKRQ-UHFFFAOYSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.21
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-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42381080
(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42163156
3-but-2-ynyl-5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45177624
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
(5S)-5-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42454799
(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42246930
5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45177078
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42274862
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
(5R)-5-[(3-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95221329
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (CID 45180784) is 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCCc2ccccc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)N1.
What is the InChIKey of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The InChIKey is UNXHEXDYZAVKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c26-21-10-4-8-19(16-21)17-22(30)29-14-11-20(12-15-29)25(23(31)27-24(32)28-25)13-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17H2,(H2,27,28,31,32).
What are the key properties of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione has a molecular weight of 437.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45180784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).