5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione

C22H25N3O3 — CID 5030162

IUPAC5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-15-9-11-24(12-10-15)19(26)14-25-20(27)22(2,23-21(25)28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)
InChIKeyMRLODTIANSNBQL-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.87
Rot. Bonds3

About 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione

5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 5030162) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID5030162
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-15-9-11-24(12-10-15)19(26)14-25-20(27)22(2,23-21(25)28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)
InChIKeyMRLODTIANSNBQL-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.87
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-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 5030162) is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)CC1.
What is the InChIKey of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is MRLODTIANSNBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-9-11-24(12-10-15)19(26)14-25-20(27)22(2,23-21(25)28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 5030162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).