5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

C15H27N3O2 — CID 71895306

IUPAC5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C)NC(=O)N(CCC2CCCCN2C)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-9-15(2)13(19)18(14(20)16-15)11-8-12-7-5-6-10-17(12)3/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyOPOXHXKECXOTKQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.97
Rot. Bonds5

About 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 71895306) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID71895306
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C)NC(=O)N(CCC2CCCCN2C)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-9-15(2)13(19)18(14(20)16-15)11-8-12-7-5-6-10-17(12)3/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyOPOXHXKECXOTKQ-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.97
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-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (CID 71895306) is 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is CCCC1(C)NC(=O)N(CCC2CCCCN2C)C1=O.
What is the InChIKey of 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is OPOXHXKECXOTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-9-15(2)13(19)18(14(20)16-15)11-8-12-7-5-6-10-17(12)3/h12H,4-11H2,1-3H3,(H,16,20).
What are the key properties of 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 71895306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).