3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione

C14H21N3O3 — CID 131702743

IUPAC3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-12(18)16-8-6-11(7-9-16)17-10-13(19)15(2)14(17)20/h3,11H,1,4-10H2,2H3
InChIKeyAGBLXNZIUVZQJD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.84
Rot. Bonds4

About 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione

3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (PubChem CID 131702743) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
PubChem CID131702743
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-12(18)16-8-6-11(7-9-16)17-10-13(19)15(2)14(17)20/h3,11H,1,4-10H2,2H3
InChIKeyAGBLXNZIUVZQJD-UHFFFAOYSA-N
XLogP0.84
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (CID 131702743) is 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is C=CCCC(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1.
What is the InChIKey of 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The InChIKey is AGBLXNZIUVZQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-5-12(18)16-8-6-11(7-9-16)17-10-13(19)15(2)14(17)20/h3,11H,1,4-10H2,2H3.
What are the key properties of 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 131702743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).