1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one

C16H22FN3O2 — CID 56815342

IUPAC1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-2-4-15(14)22-12-11-19-8-5-13(6-9-19)20-10-7-18-16(20)21/h1-4,13H,5-12H2,(H,18,21)
InChIKeyCWFVXYPSVOXYGT-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.69
Rot. Bonds5

About 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56815342) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56815342
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-2-4-15(14)22-12-11-19-8-5-13(6-9-19)20-10-7-18-16(20)21/h1-4,13H,5-12H2,(H,18,21)
InChIKeyCWFVXYPSVOXYGT-UHFFFAOYSA-N
XLogP1.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one (CID 56815342) is 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(CCOc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is CWFVXYPSVOXYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-3-1-2-4-15(14)22-12-11-19-8-5-13(6-9-19)20-10-7-18-16(20)21/h1-4,13H,5-12H2,(H,18,21).
What are the key properties of 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 307.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56815342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).