3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione

C12H19N3O3 — CID 121160396

IUPAC3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC(C)C(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C12H19N3O3/c1-8(2)11(17)14-5-3-9(4-6-14)15-10(16)7-13-12(15)18/h8-9H,3-7H2,1-2H3,(H,13,18)
InChIKeyGFCDLYIMKOECQH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.19
Rot. Bonds2

About 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160396) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160396
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC(C)C(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C12H19N3O3/c1-8(2)11(17)14-5-3-9(4-6-14)15-10(16)7-13-12(15)18/h8-9H,3-7H2,1-2H3,(H,13,18)
InChIKeyGFCDLYIMKOECQH-UHFFFAOYSA-N
XLogP0.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160396) is 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is CC(C)C(=O)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is GFCDLYIMKOECQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)11(17)14-5-3-9(4-6-14)15-10(16)7-13-12(15)18/h8-9H,3-7H2,1-2H3,(H,13,18).
What are the key properties of 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).