1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one

C11H19N3O — CID 80580950

IUPAC1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one
SMILESCCn1ccn(CC2CCNCC2)c1=O
InChIInChI=1S/C11H19N3O/c1-2-13-7-8-14(11(13)15)9-10-3-5-12-6-4-10/h7-8,10,12H,2-6,9H2,1H3
InChIKeyGFGJVJLLXLSLBS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.67
Rot. Bonds3

About 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one

1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one (PubChem CID 80580950) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one
PubChem CID80580950
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one
SMILESCCn1ccn(CC2CCNCC2)c1=O
InChIInChI=1S/C11H19N3O/c1-2-13-7-8-14(11(13)15)9-10-3-5-12-6-4-10/h7-8,10,12H,2-6,9H2,1H3
InChIKeyGFGJVJLLXLSLBS-UHFFFAOYSA-N
XLogP0.67
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one (CID 80580950) is 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one is CCn1ccn(CC2CCNCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one?
The InChIKey is GFGJVJLLXLSLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-13-7-8-14(11(13)15)9-10-3-5-12-6-4-10/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one?
1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one is sourced from PubChem (CID 80580950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).