3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one

C16H31N3O — CID 107165629

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C16H31N3O/c1-6-13-15(20)19(14(17-13)12(2)3)11-16(4)7-9-18(5)10-8-16/h12-14,17H,6-11H2,1-5H3
InChIKeyWXQMKSXGUVCNMY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.91
Rot. Bonds4

About 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one

3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 107165629) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one
PubChem CID107165629
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C16H31N3O/c1-6-13-15(20)19(14(17-13)12(2)3)11-16(4)7-9-18(5)10-8-16/h12-14,17H,6-11H2,1-5H3
InChIKeyWXQMKSXGUVCNMY-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
CID 107165674
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylimidazolidin-4-one
CID 107165646
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375
5-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83255713
3-(2-cyclopropylethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83258772
5-ethyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83242217
5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916125
5-ethyl-3-(4-methoxybutyl)-2-propan-2-ylimidazolidin-4-one
CID 83245585
5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259681
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
5-ethyl-3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83256390
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
CID 114102642

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one (CID 107165629) is 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one is CCC1NC(C(C)C)N(CC2(C)CCN(C)CC2)C1=O.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is WXQMKSXGUVCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-13-15(20)19(14(17-13)12(2)3)11-16(4)7-9-18(5)10-8-16/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one?
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 107165629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).