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

C16H21N3O3S — CID 60617583

IUPAC5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC(C)(c3ccsc3)C2=O)CC1
InChIInChI=1S/C16H21N3O3S/c1-11-3-6-18(7-4-11)13(20)9-19-14(21)16(2,17-15(19)22)12-5-8-23-10-12/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,17,22)
InChIKeyGISOCANBIZKPDL-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.77
Rot. Bonds3

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

5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 60617583) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID60617583
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC(C)(c3ccsc3)C2=O)CC1
InChIInChI=1S/C16H21N3O3S/c1-11-3-6-18(7-4-11)13(20)9-19-14(21)16(2,17-15(19)22)12-5-8-23-10-12/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,17,22)
InChIKeyGISOCANBIZKPDL-UHFFFAOYSA-N
XLogP1.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.77
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

(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
3-[(4S)-4-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52507384
5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 51249918
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092908
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119517289
N-benzyl-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52509192
N-benzhydryl-N-methyl-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 60617468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione (CID 60617583) is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione is CC1CCN(C(=O)CN2C(=O)NC(C)(c3ccsc3)C2=O)CC1.
What is the InChIKey of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is GISOCANBIZKPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-3-6-18(7-4-11)13(20)9-19-14(21)16(2,17-15(19)22)12-5-8-23-10-12/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,17,22).
What are the key properties of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 335.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 60617583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).