5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione

C11H19N3O2 — CID 694448

IUPAC5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CN2CCCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-13-6-4-3-5-7-13/h3-8H2,1-2H3,(H,12,16)
InChIKeyIXMLTTFWDMFFOG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.76
Rot. Bonds2

About 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione (PubChem CID 694448) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
PubChem CID694448
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CN2CCCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-13-6-4-3-5-7-13/h3-8H2,1-2H3,(H,12,16)
InChIKeyIXMLTTFWDMFFOG-UHFFFAOYSA-N
XLogP0.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.76
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 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione (CID 694448) is 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(CN2CCCCC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is IXMLTTFWDMFFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-13-6-4-3-5-7-13/h3-8H2,1-2H3,(H,12,16).
What are the key properties of 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 694448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).