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

C16H25N3OS — CID 114517110

IUPAC5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCC2CCN(C)CC2)C1=O
InChIInChI=1S/C16H25N3OS/c1-12-16(20)19(15(17-12)14-6-10-21-11-14)9-5-13-3-7-18(2)8-4-13/h6,10-13,15,17H,3-5,7-9H2,1-2H3
InChIKeyFBQMVKRXWKGHSX-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.30
Rot. Bonds4

About 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one

5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 114517110) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID114517110
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCC2CCN(C)CC2)C1=O
InChIInChI=1S/C16H25N3OS/c1-12-16(20)19(15(17-12)14-6-10-21-11-14)9-5-13-3-7-18(2)8-4-13/h6,10-13,15,17H,3-5,7-9H2,1-2H3
InChIKeyFBQMVKRXWKGHSX-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83251904
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
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5-methyl-3-(2-piperidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83245085
5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 106000166
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258294
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776
5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 113225393
3-(2-cyclohexyloxyethyl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83262920
3-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 114506900
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3,5-dimethyl-2-thiophen-3-ylimidazolidin-4-one
CID 83260781
5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114109735

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (CID 114517110) is 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is CC1NC(c2ccsc2)N(CCC2CCN(C)CC2)C1=O.
What is the InChIKey of 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is FBQMVKRXWKGHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-12-16(20)19(15(17-12)14-6-10-21-11-14)9-5-13-3-7-18(2)8-4-13/h6,10-13,15,17H,3-5,7-9H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 114517110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).