1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone

C15H18N2O3 — CID 13076416

IUPAC1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2c(C3CCN(C(C)=O)CC3)noc2c1
InChIInChI=1S/C15H18N2O3/c1-10(18)17-7-5-11(6-8-17)15-13-4-3-12(19-2)9-14(13)20-16-15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyJMJCZMKHWUOKOG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.56
Rot. Bonds2

About 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone

1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 13076416) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
PubChem CID13076416
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2c(C3CCN(C(C)=O)CC3)noc2c1
InChIInChI=1S/C15H18N2O3/c1-10(18)17-7-5-11(6-8-17)15-13-4-3-12(19-2)9-14(13)20-16-15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyJMJCZMKHWUOKOG-UHFFFAOYSA-N
XLogP2.56
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone (CID 13076416) is 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone is COc1ccc2c(C3CCN(C(C)=O)CC3)noc2c1.
What is the InChIKey of 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is JMJCZMKHWUOKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(18)17-7-5-11(6-8-17)15-13-4-3-12(19-2)9-14(13)20-16-15/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 13076416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).