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

C13H19N3O3 — CID 171137180

IUPAC1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione
SMILESCC=CC(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-3-4-11(17)15-7-5-10(6-8-15)16-9-12(18)14(2)13(16)19/h3-4,10H,5-9H2,1-2H3
InChIKeyPCAVYTQZFMLBCD-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.45
Rot. Bonds2

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

1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione (PubChem CID 171137180) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione
PubChem CID171137180
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione
SMILESCC=CC(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-3-4-11(17)15-7-5-10(6-8-15)16-9-12(18)14(2)13(16)19/h3-4,10H,5-9H2,1-2H3
InChIKeyPCAVYTQZFMLBCD-UHFFFAOYSA-N
XLogP0.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylimidazolidine-2,4-dione?
The IUPAC name of 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione (CID 171137180) is 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione is CC=CC(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1.
What is the InChIKey of 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione?
The InChIKey is PCAVYTQZFMLBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-4-11(17)15-7-5-10(6-8-15)16-9-12(18)14(2)13(16)19/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione?
1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 171137180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).