6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one

C22H25FN2O2 — CID 22068396

IUPAC6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(F)cc2on1CCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H25FN2O2/c23-19-6-7-20-21(16-19)27-25(22(20)26)15-11-18-9-13-24(14-10-18)12-8-17-4-2-1-3-5-17/h1-7,16,18H,8-15H2
InChIKeyRCNHDSSYESMTAT-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.08
Rot. Bonds6

About 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one

6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one (PubChem CID 22068396) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
PubChem CID22068396
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(F)cc2on1CCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H25FN2O2/c23-19-6-7-20-21(16-19)27-25(22(20)26)15-11-18-9-13-24(14-10-18)12-8-17-4-2-1-3-5-17/h1-7,16,18H,8-15H2
InChIKeyRCNHDSSYESMTAT-UHFFFAOYSA-N
XLogP4.08
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
The IUPAC name of 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one (CID 22068396) is 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one.
What is the SMILES notation for 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
The canonical SMILES for 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one is O=c1c2ccc(F)cc2on1CCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
The InChIKey is RCNHDSSYESMTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-6-7-20-21(16-19)27-25(22(20)26)15-11-18-9-13-24(14-10-18)12-8-17-4-2-1-3-5-17/h1-7,16,18H,8-15H2.
What are the key properties of 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one has a molecular weight of 368.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one is sourced from PubChem (CID 22068396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).