5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C19H31N3O4 — CID 127888669

IUPAC5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCC1CCCCC1OCC(=O)N1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-3-13-6-4-5-7-15(13)26-12-16(23)22-10-8-14(9-11-22)19(2)17(24)20-18(25)21-19/h13-15H,3-12H2,1-2H3,(H2,20,21,24,25)
InChIKeyHTERHMLJGDZCCF-UHFFFAOYSA-N
MW365.47 g/mol
LogP1.81
Rot. Bonds5

About 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 127888669) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID127888669
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCC1CCCCC1OCC(=O)N1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-3-13-6-4-5-7-15(13)26-12-16(23)22-10-8-14(9-11-22)19(2)17(24)20-18(25)21-19/h13-15H,3-12H2,1-2H3,(H2,20,21,24,25)
InChIKeyHTERHMLJGDZCCF-UHFFFAOYSA-N
XLogP1.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 119809903
5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 120982053
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
2,2-dimethyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 138033204
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 127888364
5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane
CID 172611710
5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 120991384
5-methyl-5-[1-[3-(5-phenylfuran-2-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 91643956
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 127888669) is 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CCC1CCCCC1OCC(=O)N1CCC(C2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HTERHMLJGDZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-3-13-6-4-5-7-15(13)26-12-16(23)22-10-8-14(9-11-22)19(2)17(24)20-18(25)21-19/h13-15H,3-12H2,1-2H3,(H2,20,21,24,25).
What are the key properties of 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 365.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 127888669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).