2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone

C18H21F2N3O2 — CID 95341004

IUPAC2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nccn1[C@H]1CCCN(C(=O)COc2cc(F)ccc2F)C1
InChIInChI=1S/C18H21F2N3O2/c1-2-17-21-7-9-23(17)14-4-3-8-22(11-14)18(24)12-25-16-10-13(19)5-6-15(16)20/h5-7,9-10,14H,2-4,8,11-12H2,1H3/t14-/m0/s1
InChIKeyOPNSRMOFAZAHCS-AWEZNQCLSA-N
MW349.38 g/mol
LogP2.97
Rot. Bonds5

About 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone

2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95341004) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95341004
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nccn1[C@H]1CCCN(C(=O)COc2cc(F)ccc2F)C1
InChIInChI=1S/C18H21F2N3O2/c1-2-17-21-7-9-23(17)14-4-3-8-22(11-14)18(24)12-25-16-10-13(19)5-6-15(16)20/h5-7,9-10,14H,2-4,8,11-12H2,1H3/t14-/m0/s1
InChIKeyOPNSRMOFAZAHCS-AWEZNQCLSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone (CID 95341004) is 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone is CCc1nccn1[C@H]1CCCN(C(=O)COc2cc(F)ccc2F)C1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is OPNSRMOFAZAHCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-2-17-21-7-9-23(17)14-4-3-8-22(11-14)18(24)12-25-16-10-13(19)5-6-15(16)20/h5-7,9-10,14H,2-4,8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 349.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95341004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).