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'}

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Related Compounds

1-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 124874232
1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione
CID 86962942
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63250982
2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119103233
3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022365
1-cyclopentyl-3-(methoxymethyl)imidazolidine-2,4-dione
CID 71972019
1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 155974661
1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 155974767
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pent-4-en-1-one
CID 46086884
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3785042
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428

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).