3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one

C14H21N3O2 — CID 116981780

IUPAC3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one
SMILESCc1ccc(C2CN(C3CCNCC3)C(=O)N2C)o1
InChIInChI=1S/C14H21N3O2/c1-10-3-4-13(19-10)12-9-17(14(18)16(12)2)11-5-7-15-8-6-11/h3-4,11-12,15H,5-9H2,1-2H3
InChIKeyQFDRCFKAQCBYEJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds2

About 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one

3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one (PubChem CID 116981780) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one
PubChem CID116981780
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one
SMILESCc1ccc(C2CN(C3CCNCC3)C(=O)N2C)o1
InChIInChI=1S/C14H21N3O2/c1-10-3-4-13(19-10)12-9-17(14(18)16(12)2)11-5-7-15-8-6-11/h3-4,11-12,15H,5-9H2,1-2H3
InChIKeyQFDRCFKAQCBYEJ-UHFFFAOYSA-N
XLogP1.75
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one (CID 116981780) is 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one is Cc1ccc(C2CN(C3CCNCC3)C(=O)N2C)o1.
What is the InChIKey of 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one?
The InChIKey is QFDRCFKAQCBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-3-4-13(19-10)12-9-17(14(18)16(12)2)11-5-7-15-8-6-11/h3-4,11-12,15H,5-9H2,1-2H3.
What are the key properties of 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one?
3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methylfuran-2-yl)-1-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 116981780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).