5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione

C18H30N4O3 — CID 86823322

IUPAC5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCCC(N3CCCC3)C2)C1=O
InChIInChI=1S/C18H30N4O3/c1-3-18(4-2)16(24)22(17(25)19-18)13-15(23)21-11-7-8-14(12-21)20-9-5-6-10-20/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyGIUVLCBBDNLJMB-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.18
Rot. Bonds5

About 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 86823322) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID86823322
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCCC(N3CCCC3)C2)C1=O
InChIInChI=1S/C18H30N4O3/c1-3-18(4-2)16(24)22(17(25)19-18)13-15(23)21-11-7-8-14(12-21)20-9-5-6-10-20/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyGIUVLCBBDNLJMB-UHFFFAOYSA-N
XLogP1.18
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 119375972
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
3-[2-(azepan-1-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 84601215
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
4-methyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 86823313
1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122114372
3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 87011014
5,5-diethyl-3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95569598
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 56783511
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (CID 86823322) is 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCCC(N3CCCC3)C2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is GIUVLCBBDNLJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-3-18(4-2)16(24)22(17(25)19-18)13-15(23)21-11-7-8-14(12-21)20-9-5-6-10-20/h14H,3-13H2,1-2H3,(H,19,25).
What are the key properties of 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 350.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86823322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).