3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one

C15H23N3OS — CID 114517080

IUPAC3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
SMILESCN1CCC(CCN2C(=O)CNC2c2cccs2)CC1
InChIInChI=1S/C15H23N3OS/c1-17-7-4-12(5-8-17)6-9-18-14(19)11-16-15(18)13-3-2-10-20-13/h2-3,10,12,15-16H,4-9,11H2,1H3
InChIKeyUNZCSATUKFOPMV-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.91
Rot. Bonds4

About 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one

3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 114517080) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
PubChem CID114517080
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
SMILESCN1CCC(CCN2C(=O)CNC2c2cccs2)CC1
InChIInChI=1S/C15H23N3OS/c1-17-7-4-12(5-8-17)6-9-18-14(19)11-16-15(18)13-3-2-10-20-13/h2-3,10,12,15-16H,4-9,11H2,1H3
InChIKeyUNZCSATUKFOPMV-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one (CID 114517080) is 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one is CN1CCC(CCN2C(=O)CNC2c2cccs2)CC1.
What is the InChIKey of 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is UNZCSATUKFOPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17-7-4-12(5-8-17)6-9-18-14(19)11-16-15(18)13-3-2-10-20-13/h2-3,10,12,15-16H,4-9,11H2,1H3.
What are the key properties of 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 293.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 114517080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).