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

C14H21N3OS — CID 83249330

IUPAC3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCN1CCC(CN2C(=O)CNC2c2ccsc2)CC1
InChIInChI=1S/C14H21N3OS/c1-16-5-2-11(3-6-16)9-17-13(18)8-15-14(17)12-4-7-19-10-12/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyYVBULUGPMOYMGJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.52
Rot. Bonds3

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

3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83249330) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83249330
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCN1CCC(CN2C(=O)CNC2c2ccsc2)CC1
InChIInChI=1S/C14H21N3OS/c1-16-5-2-11(3-6-16)9-17-13(18)8-15-14(17)12-4-7-19-10-12/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyYVBULUGPMOYMGJ-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83256663
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114517110
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83264612
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
3-(cyclopropylmethyl)-2-phenylimidazolidin-4-one
CID 83250909
3-(cyclopropylmethyl)-2-(4-ethylphenyl)imidazolidin-4-one
CID 83251072

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83249330) is 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CN1CCC(CN2C(=O)CNC2c2ccsc2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is YVBULUGPMOYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-16-5-2-11(3-6-16)9-17-13(18)8-15-14(17)12-4-7-19-10-12/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 279.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83249330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).