3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one

C17H33N3O — CID 83247094

IUPAC3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(CC(C)C)N(C2CCCN(C)C2)C1=O
InChIInChI=1S/C17H33N3O/c1-12(2)9-15-17(21)20(16(18-15)10-13(3)4)14-7-6-8-19(5)11-14/h12-16,18H,6-11H2,1-5H3
InChIKeyHFCKMNPREWPWCZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.30
Rot. Bonds5

About 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one

3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one (PubChem CID 83247094) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
PubChem CID83247094
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(CC(C)C)N(C2CCCN(C)C2)C1=O
InChIInChI=1S/C17H33N3O/c1-12(2)9-15-17(21)20(16(18-15)10-13(3)4)14-7-6-8-19(5)11-14/h12-16,18H,6-11H2,1-5H3
InChIKeyHFCKMNPREWPWCZ-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83256390
5-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83252600
3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83243465
2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83262954
2-ethyl-5-(2-methylpropyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83255946
2-cyclopentyl-3-cyclopropyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83242377
2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83250222
5-butan-2-yl-3-cyclobutyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83254319
6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964568
5-ethyl-3-(1-methylpiperidin-3-yl)-2-phenylimidazolidin-4-one
CID 83247325
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83237876
1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967471

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one (CID 83247094) is 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(CC(C)C)N(C2CCCN(C)C2)C1=O.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The InChIKey is HFCKMNPREWPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-12(2)9-15-17(21)20(16(18-15)10-13(3)4)14-7-6-8-19(5)11-14/h12-16,18H,6-11H2,1-5H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one has a molecular weight of 295.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83247094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).