1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one

C12H18N2O2 — CID 106373083

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one
SMILESCCc1cnc(CN2CCC(=O)C(C)C2)o1
InChIInChI=1S/C12H18N2O2/c1-3-10-6-13-12(16-10)8-14-5-4-11(15)9(2)7-14/h6,9H,3-5,7-8H2,1-2H3
InChIKeyFMRAAEXILBMYKN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.65
Rot. Bonds3

About 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one (PubChem CID 106373083) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one
PubChem CID106373083
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one
SMILESCCc1cnc(CN2CCC(=O)C(C)C2)o1
InChIInChI=1S/C12H18N2O2/c1-3-10-6-13-12(16-10)8-14-5-4-11(15)9(2)7-14/h6,9H,3-5,7-8H2,1-2H3
InChIKeyFMRAAEXILBMYKN-UHFFFAOYSA-N
XLogP1.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one (CID 106373083) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one is CCc1cnc(CN2CCC(=O)C(C)C2)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one?
The InChIKey is FMRAAEXILBMYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-10-6-13-12(16-10)8-14-5-4-11(15)9(2)7-14/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 106373083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).