1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione

C17H19N3O4 — CID 7820067

IUPAC1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1CCCCC1
InChIInChI=1S/C17H19N3O4/c21-14(18-9-5-2-6-10-18)12-20-16(23)15(22)19(17(20)24)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyGVPLDUPQTGHNSQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.99
Rot. Bonds4

About 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione

1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione (PubChem CID 7820067) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione
PubChem CID7820067
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1CCCCC1
InChIInChI=1S/C17H19N3O4/c21-14(18-9-5-2-6-10-18)12-20-16(23)15(22)19(17(20)24)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyGVPLDUPQTGHNSQ-UHFFFAOYSA-N
XLogP0.99
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
2-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 43044215
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 7819532
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
(3S)-4-benzyl-3-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
CID 95556771
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050
2-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 104501276

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione (CID 7820067) is 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione is O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1CCCCC1.
What is the InChIKey of 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione?
The InChIKey is GVPLDUPQTGHNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-14(18-9-5-2-6-10-18)12-20-16(23)15(22)19(17(20)24)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione?
1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione has a molecular weight of 329.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 7820067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).