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

C17H20FN3O3 — CID 56814098

IUPAC3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1CCCN(C(=O)CC2NC(=O)N(c3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C17H20FN3O3/c1-11-3-2-8-20(10-11)15(22)9-14-16(23)21(17(24)19-14)13-6-4-12(18)5-7-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,24)
InChIKeyBXIHZGYGLWBAEB-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.90
Rot. Bonds3

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

3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 56814098) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID56814098
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1CCCN(C(=O)CC2NC(=O)N(c3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C17H20FN3O3/c1-11-3-2-8-20(10-11)15(22)9-14-16(23)21(17(24)19-14)13-6-4-12(18)5-7-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,24)
InChIKeyBXIHZGYGLWBAEB-UHFFFAOYSA-N
XLogP1.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.90
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
(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
CID 95137890
(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
CID 98764941
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890
3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 50956361
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694649
1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 177250754
3-fluoro-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 53200637

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 56814098) is 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is CC1CCCN(C(=O)CC2NC(=O)N(c3ccc(F)cc3)C2=O)C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is BXIHZGYGLWBAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-3-2-8-20(10-11)15(22)9-14-16(23)21(17(24)19-14)13-6-4-12(18)5-7-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,24).
What are the key properties of 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 333.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56814098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).