(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione

C18H22FN3O3 — CID 95137890

IUPAC(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1CCN(C(=O)C[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C18H22FN3O3/c1-2-12-7-9-21(10-8-12)16(23)11-15-17(24)22(18(25)20-15)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyLHODIQSETTYQEJ-OAHLLOKOSA-N
MW347.39 g/mol
LogP2.29
Rot. Bonds4

About (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione

(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 95137890) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID95137890
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1CCN(C(=O)C[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C18H22FN3O3/c1-2-12-7-9-21(10-8-12)16(23)11-15-17(24)22(18(25)20-15)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyLHODIQSETTYQEJ-OAHLLOKOSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 95571346
3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 56814098
(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
CID 98764941
tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
CID 124854382
3-(4-fluorophenyl)-5-(methoxymethyl)imidazolidine-2,4-dione
CID 81082365
(5S)-5-[2-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-3-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 124878906
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
CID 110703473
1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 177250754
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
tert-butyl 4-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 86852948
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione (CID 95137890) is (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione is CCC1CCN(C(=O)C[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is LHODIQSETTYQEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-2-12-7-9-21(10-8-12)16(23)11-15-17(24)22(18(25)20-15)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 347.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95137890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).