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

C14H21N3OS — CID 83243425

IUPAC5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(C2CCN(C)CC2)C1=O
InChIInChI=1S/C14H21N3OS/c1-10-14(18)17(12-3-6-16(2)7-4-12)13(15-10)11-5-8-19-9-11/h5,8-10,12-13,15H,3-4,6-7H2,1-2H3
InChIKeyVBDKFJINNXEZFO-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.66
Rot. Bonds2

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

5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83243425) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83243425
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(C2CCN(C)CC2)C1=O
InChIInChI=1S/C14H21N3OS/c1-10-14(18)17(12-3-6-16(2)7-4-12)13(15-10)11-5-8-19-9-11/h5,8-10,12-13,15H,3-4,6-7H2,1-2H3
InChIKeyVBDKFJINNXEZFO-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one (CID 83243425) is 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one is CC1NC(c2ccsc2)N(C2CCN(C)CC2)C1=O.
What is the InChIKey of 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is VBDKFJINNXEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-14(18)17(12-3-6-16(2)7-4-12)13(15-10)11-5-8-19-9-11/h5,8-10,12-13,15H,3-4,6-7H2,1-2H3.
What are the key properties of 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one?
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 279.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83243425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).