5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one

C13H25N3O — CID 83249853

IUPAC5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one
SMILESCCC1(C)NCN(CC2CCN(C)CC2)C1=O
InChIInChI=1S/C13H25N3O/c1-4-13(2)12(17)16(10-14-13)9-11-5-7-15(3)8-6-11/h11,14H,4-10H2,1-3H3
InChIKeyQGCYQAXEUQJOGP-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.89
Rot. Bonds3

About 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one

5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one (PubChem CID 83249853) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one
PubChem CID83249853
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one
SMILESCCC1(C)NCN(CC2CCN(C)CC2)C1=O
InChIInChI=1S/C13H25N3O/c1-4-13(2)12(17)16(10-14-13)9-11-5-7-15(3)8-6-11/h11,14H,4-10H2,1-3H3
InChIKeyQGCYQAXEUQJOGP-UHFFFAOYSA-N
XLogP0.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83259439
5-ethyl-5-methyl-3-propylimidazolidin-4-one
CID 83242935
3-(2-cyclopentylethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256191
3-(2-cyclohexylethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256196
5-ethyl-3-(2-fluoroethyl)-5-methylimidazolidin-4-one
CID 130504764
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256538
5-ethyl-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
CID 83244125
5-ethyl-5-methyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83255365
3-cyclopropyl-5-ethyl-5-methylimidazolidin-4-one
CID 83242641
5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83263391
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
CID 155150634
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64966881

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one (CID 83249853) is 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one is CCC1(C)NCN(CC2CCN(C)CC2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one?
The InChIKey is QGCYQAXEUQJOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-13(2)12(17)16(10-14-13)9-11-5-7-15(3)8-6-11/h11,14H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one?
5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83249853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).