1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C18H20F3N3O3 — CID 126854984

IUPAC1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)c1ccccc1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)12-24-16(26)11-23(17(24)27)14-6-8-22(9-7-14)10-15(25)13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyZBMCLAVVOUHQBO-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.16
Rot. Bonds5

About 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 126854984) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID126854984
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)c1ccccc1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)12-24-16(26)11-23(17(24)27)14-6-8-22(9-7-14)10-15(25)13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyZBMCLAVVOUHQBO-UHFFFAOYSA-N
XLogP2.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850997
1-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850998
1-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 171136822
1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850995
3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
CID 167942155
2-phenacyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863471
1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 163356354
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 163356309
1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 113225089
1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126852958
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 126854984) is 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C(CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)c1ccccc1.
What is the InChIKey of 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is ZBMCLAVVOUHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c19-18(20,21)12-24-16(26)11-23(17(24)27)14-6-8-22(9-7-14)10-15(25)13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 383.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126854984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).