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

C16H25N3O4 — CID 131702775

IUPAC3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(N2CC(=O)N(CCOC)C2=O)CC1
InChIInChI=1S/C16H25N3O4/c1-3-4-5-14(20)17-8-6-13(7-9-17)19-12-15(21)18(16(19)22)10-11-23-2/h3,13H,1,4-12H2,2H3
InChIKeyDFVRWQMVMFMUPL-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.85
Rot. Bonds7

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

3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (PubChem CID 131702775) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
PubChem CID131702775
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(N2CC(=O)N(CCOC)C2=O)CC1
InChIInChI=1S/C16H25N3O4/c1-3-4-5-14(20)17-8-6-13(7-9-17)19-12-15(21)18(16(19)22)10-11-23-2/h3,13H,1,4-12H2,2H3
InChIKeyDFVRWQMVMFMUPL-UHFFFAOYSA-N
XLogP0.85
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 92130672
CID 92130672
CID 124878603
CID 124878603
CID 124878605
CID 124878605
CID 131702743
CID 131702743
CID 131703751
CID 131703751
CID 171137185
CID 171137185

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (CID 131702775) is 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is C=CCCC(=O)N1CCC(N2CC(=O)N(CCOC)C2=O)CC1.
What is the InChIKey of 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The InChIKey is DFVRWQMVMFMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-3-4-5-14(20)17-8-6-13(7-9-17)19-12-15(21)18(16(19)22)10-11-23-2/h3,13H,1,4-12H2,2H3.
What are the key properties of 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione has a molecular weight of 323.39 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 131702775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).