3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one

C13H25N3O — CID 83247949

IUPAC3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCCN1CCCC(N2CNC(C(C)C)C2=O)C1
InChIInChI=1S/C13H25N3O/c1-4-15-7-5-6-11(8-15)16-9-14-12(10(2)3)13(16)17/h10-12,14H,4-9H2,1-3H3
InChIKeyMORSVEPVCKLUFB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.88
Rot. Bonds3

About 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one

3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83247949) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83247949
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCCN1CCCC(N2CNC(C(C)C)C2=O)C1
InChIInChI=1S/C13H25N3O/c1-4-15-7-5-6-11(8-15)16-9-14-12(10(2)3)13(16)17/h10-12,14H,4-9H2,1-3H3
InChIKeyMORSVEPVCKLUFB-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-(1-ethylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965128
5-propan-2-yl-3-(4-propylcyclohexyl)imidazolidin-4-one
CID 83249820
6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245860
3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one
CID 54972827
3-cyclopropyl-1-(1-ethylpiperidin-3-yl)-6-methylpiperazine-2,5-dione
CID 64965009
2-cyclopentyl-3-(1-ethylpiperidin-3-yl)-5-methylimidazolidin-4-one
CID 83245102
2-cyclopentyl-5-ethyl-3-(1-ethylpiperidin-3-yl)imidazolidin-4-one
CID 83246390
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid
CID 115102972
7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599828
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
CID 21405570
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one (CID 83247949) is 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one is CCN1CCCC(N2CNC(C(C)C)C2=O)C1.
What is the InChIKey of 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is MORSVEPVCKLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-15-7-5-6-11(8-15)16-9-14-12(10(2)3)13(16)17/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one?
3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83247949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).