5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

C22H25N3O4 — CID 4881011

IUPAC5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2cc(C3(C)NC(=O)N(CC(=O)N4CCCCC4)C3=O)ccc2c1
InChIInChI=1S/C22H25N3O4/c1-22(17-8-6-16-13-18(29-2)9-7-15(16)12-17)20(27)25(21(28)23-22)14-19(26)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,28)
InChIKeyFLYADQORINOBJN-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.63
Rot. Bonds4

About 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 4881011) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID4881011
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2cc(C3(C)NC(=O)N(CC(=O)N4CCCCC4)C3=O)ccc2c1
InChIInChI=1S/C22H25N3O4/c1-22(17-8-6-16-13-18(29-2)9-7-15(16)12-17)20(27)25(21(28)23-22)14-19(26)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,28)
InChIKeyFLYADQORINOBJN-UHFFFAOYSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (CID 4881011) is 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is COc1ccc2cc(C3(C)NC(=O)N(CC(=O)N4CCCCC4)C3=O)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is FLYADQORINOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(17-8-6-16-13-18(29-2)9-7-15(16)12-17)20(27)25(21(28)23-22)14-19(26)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,28).
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 395.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4881011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).