1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione

C15H23N3O4 — CID 171137185

IUPAC1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCC=CC(=O)N1CCC(N2CC(=O)N(CCOC)C2=O)CC1
InChIInChI=1S/C15H23N3O4/c1-3-4-13(19)16-7-5-12(6-8-16)18-11-14(20)17(15(18)21)9-10-22-2/h3-4,12H,5-11H2,1-2H3
InChIKeyXYHHMQAQNJZWIJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.46
Rot. Bonds5

About 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione

1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 171137185) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID171137185
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCC=CC(=O)N1CCC(N2CC(=O)N(CCOC)C2=O)CC1
InChIInChI=1S/C15H23N3O4/c1-3-4-13(19)16-7-5-12(6-8-16)18-11-14(20)17(15(18)21)9-10-22-2/h3-4,12H,5-11H2,1-2H3
InChIKeyXYHHMQAQNJZWIJ-UHFFFAOYSA-N
XLogP0.46
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 171137185) is 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione is CC=CC(=O)N1CCC(N2CC(=O)N(CCOC)C2=O)CC1.
What is the InChIKey of 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is XYHHMQAQNJZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-4-13(19)16-7-5-12(6-8-16)18-11-14(20)17(15(18)21)9-10-22-2/h3-4,12H,5-11H2,1-2H3.
What are the key properties of 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione?
1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-2-enoylpiperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 171137185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).