1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid

C16H25N3O5 — CID 122114372

IUPAC1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CC(C(=O)O)CCC2C)C1=O
InChIInChI=1S/C16H25N3O5/c1-4-16(5-2)14(23)19(15(24)17-16)9-12(20)18-8-11(13(21)22)7-6-10(18)3/h10-11H,4-9H2,1-3H3,(H,17,24)(H,21,22)
InChIKeyKRCQBOPREXLYQJ-UHFFFAOYSA-N
MW339.39 g/mol
LogP0.81
Rot. Bonds5

About 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid

1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122114372) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122114372
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CC(C(=O)O)CCC2C)C1=O
InChIInChI=1S/C16H25N3O5/c1-4-16(5-2)14(23)19(15(24)17-16)9-12(20)18-8-11(13(21)22)7-6-10(18)3/h10-11H,4-9H2,1-3H3,(H,17,24)(H,21,22)
InChIKeyKRCQBOPREXLYQJ-UHFFFAOYSA-N
XLogP0.81
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114279
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
6-methyl-1-[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122113792
5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 86965968
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 119375972
5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 86823322
5,5-diethyl-3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95569598
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 139002491
3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 120743188
2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid
CID 119346548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid (CID 122114372) is 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid is CCC1(CC)NC(=O)N(CC(=O)N2CC(C(=O)O)CCC2C)C1=O.
What is the InChIKey of 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is KRCQBOPREXLYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-4-16(5-2)14(23)19(15(24)17-16)9-12(20)18-8-11(13(21)22)7-6-10(18)3/h10-11H,4-9H2,1-3H3,(H,17,24)(H,21,22).
What are the key properties of 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid?
1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122114372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).