1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one

C11H18F3N3O — CID 84807585

IUPAC1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESO=C1N(CC2CCNCC2)CCN1CC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-17-6-5-16(10(17)18)7-9-1-3-15-4-2-9/h9,15H,1-8H2
InChIKeyMLIWAPCGFNZQNE-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.29
Rot. Bonds3

About 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one

1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one (PubChem CID 84807585) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
PubChem CID84807585
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESO=C1N(CC2CCNCC2)CCN1CC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-17-6-5-16(10(17)18)7-9-1-3-15-4-2-9/h9,15H,1-8H2
InChIKeyMLIWAPCGFNZQNE-UHFFFAOYSA-N
XLogP1.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one (CID 84807585) is 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one is O=C1N(CC2CCNCC2)CCN1CC(F)(F)F.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The InChIKey is MLIWAPCGFNZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)8-17-6-5-16(10(17)18)7-9-1-3-15-4-2-9/h9,15H,1-8H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one?
1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one has a molecular weight of 265.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 84807585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).