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

C20H28N4O3 — CID 87011014

IUPAC3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCC(Nc3ccccc3)CC2)C1=O
InChIInChI=1S/C20H28N4O3/c1-3-20(4-2)18(26)24(19(27)22-20)14-17(25)23-12-10-16(11-13-23)21-15-8-6-5-7-9-15/h5-9,16,21H,3-4,10-14H2,1-2H3,(H,22,27)
InChIKeyAHFIFXDCMNQIJJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.20
Rot. Bonds6

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

3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 87011014) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID87011014
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCC(Nc3ccccc3)CC2)C1=O
InChIInChI=1S/C20H28N4O3/c1-3-20(4-2)18(26)24(19(27)22-20)14-17(25)23-12-10-16(11-13-23)21-15-8-6-5-7-9-15/h5-9,16,21H,3-4,10-14H2,1-2H3,(H,22,27)
InChIKeyAHFIFXDCMNQIJJ-UHFFFAOYSA-N
XLogP2.20
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.20
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-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-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 120743188
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
N-benzhydryl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2425467
5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 86823322
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 9082251
1-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 31732135
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 31482275
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (CID 87011014) is 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCC(Nc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is AHFIFXDCMNQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-20(4-2)18(26)24(19(27)22-20)14-17(25)23-12-10-16(11-13-23)21-15-8-6-5-7-9-15/h5-9,16,21H,3-4,10-14H2,1-2H3,(H,22,27).
What are the key properties of 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 87011014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).