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

C21H29FN2O2 — CID 22068214

IUPAC2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(F)cc2on1CCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H29FN2O2/c22-18-6-7-19-20(14-18)26-24(21(19)25)13-10-16-8-11-23(12-9-16)15-17-4-2-1-3-5-17/h6-7,14,16-17H,1-5,8-13,15H2
InChIKeyVZVOOEGUTAZLCI-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.42
Rot. Bonds5

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

2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one (PubChem CID 22068214) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one
PubChem CID22068214
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(F)cc2on1CCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H29FN2O2/c22-18-6-7-19-20(14-18)26-24(21(19)25)13-10-16-8-11-23(12-9-16)15-17-4-2-1-3-5-17/h6-7,14,16-17H,1-5,8-13,15H2
InChIKeyVZVOOEGUTAZLCI-UHFFFAOYSA-N
XLogP4.42
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one?
The IUPAC name of 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one (CID 22068214) is 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one.
What is the SMILES notation for 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one?
The canonical SMILES for 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one is O=c1c2ccc(F)cc2on1CCC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one?
The InChIKey is VZVOOEGUTAZLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-18-6-7-19-20(14-18)26-24(21(19)25)13-10-16-8-11-23(12-9-16)15-17-4-2-1-3-5-17/h6-7,14,16-17H,1-5,8-13,15H2.
What are the key properties of 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one?
2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one has a molecular weight of 360.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-6-fluoro-1,2-benzoxazol-3-one is sourced from PubChem (CID 22068214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).