3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one

C17H33N3O — CID 83252942

IUPAC3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC2CCN(CC)CC2)C1=O
InChIInChI=1S/C17H33N3O/c1-5-7-15-17(21)20(16(18-15)13(3)4)12-14-8-10-19(6-2)11-9-14/h13-16,18H,5-12H2,1-4H3
InChIKeyUXXRYHWKAOYLBT-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.30
Rot. Bonds6

About 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one

3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83252942) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
PubChem CID83252942
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC2CCN(CC)CC2)C1=O
InChIInChI=1S/C17H33N3O/c1-5-7-15-17(21)20(16(18-15)13(3)4)12-14-8-10-19(6-2)11-9-14/h13-16,18H,5-12H2,1-4H3
InChIKeyUXXRYHWKAOYLBT-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one (CID 83252942) is 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(C(C)C)N(CC2CCN(CC)CC2)C1=O.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is UXXRYHWKAOYLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-7-15-17(21)20(16(18-15)13(3)4)12-14-8-10-19(6-2)11-9-14/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 295.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83252942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).