3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one

C15H29N3O — CID 107165674

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
SMILESCCC1NC(CC)N(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C15H29N3O/c1-5-12-14(19)18(13(6-2)16-12)11-15(3)7-9-17(4)10-8-15/h12-13,16H,5-11H2,1-4H3
InChIKeyKRAITZZSSLKTFA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.66
Rot. Bonds4

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

3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one (PubChem CID 107165674) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
PubChem CID107165674
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
SMILESCCC1NC(CC)N(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C15H29N3O/c1-5-12-14(19)18(13(6-2)16-12)11-15(3)7-9-17(4)10-8-15/h12-13,16H,5-11H2,1-4H3
InChIKeyKRAITZZSSLKTFA-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylimidazolidin-4-one
CID 107165646
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 107165629
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
CID 114102642
2,5-diethyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250866
3-[(1-methylcyclopentyl)methyl]-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83262725
3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one
CID 83255170
3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one
CID 103466875
5-ethyl-3-[(2-methyloxolan-2-yl)methyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83271120
2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83256770
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252
5-ethyl-3-[(1-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258168

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one (CID 107165674) is 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one is CCC1NC(CC)N(CC2(C)CCN(C)CC2)C1=O.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one?
The InChIKey is KRAITZZSSLKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-12-14(19)18(13(6-2)16-12)11-15(3)7-9-17(4)10-8-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one?
3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one has a molecular weight of 267.42 g/mol, XLogP of 1.66, 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]-2,5-diethylimidazolidin-4-one is sourced from PubChem (CID 107165674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).