3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

C14H24N4O3 — CID 119375972

IUPAC3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCC(N)CC2)C1=O
InChIInChI=1S/C14H24N4O3/c1-3-14(4-2)12(20)18(13(21)16-14)9-11(19)17-7-5-10(15)6-8-17/h10H,3-9,15H2,1-2H3,(H,16,21)
InChIKeyIVKUCESVZDXZEH-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.05
Rot. Bonds4

About 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 119375972) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID119375972
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCC(N)CC2)C1=O
InChIInChI=1S/C14H24N4O3/c1-3-14(4-2)12(20)18(13(21)16-14)9-11(19)17-7-5-10(15)6-8-17/h10H,3-9,15H2,1-2H3,(H,16,21)
InChIKeyIVKUCESVZDXZEH-UHFFFAOYSA-N
XLogP0.05
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.05
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

3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119373441
3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 87011014
5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 86823322
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
3-[2-(azepan-1-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 84601215
3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 120573174
3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 120573173
3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 120743188
5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 86965968
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
N-cyclopentyl-N-cyclopropyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 51077613

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (CID 119375972) is 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCC(N)CC2)C1=O.
What is the InChIKey of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is IVKUCESVZDXZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-14(4-2)12(20)18(13(21)16-14)9-11(19)17-7-5-10(15)6-8-17/h10H,3-9,15H2,1-2H3,(H,16,21).
What are the key properties of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 119375972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).