5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C16H21N3O4 — CID 51249918

IUPAC5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)CC1
InChIInChI=1S/C16H21N3O4/c1-11-5-7-18(8-6-11)13(20)10-19-14(21)16(2,17-15(19)22)12-4-3-9-23-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,22)
InChIKeyRTOHFUQONYLCPF-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.31
Rot. Bonds3

About 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 51249918) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID51249918
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)CC1
InChIInChI=1S/C16H21N3O4/c1-11-5-7-18(8-6-11)13(20)10-19-14(21)16(2,17-15(19)22)12-4-3-9-23-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,22)
InChIKeyRTOHFUQONYLCPF-UHFFFAOYSA-N
XLogP1.31
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione
CID 111476351
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617583
N-cyclopropyl-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 87019144
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7962414
(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767243
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767239
3-[(4S)-4-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52507384
(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51317464
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 122149444

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 51249918) is 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is CC1CCN(C(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)CC1.
What is the InChIKey of 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is RTOHFUQONYLCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11-5-7-18(8-6-11)13(20)10-19-14(21)16(2,17-15(19)22)12-4-3-9-23-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,22).
What are the key properties of 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51249918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).