3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one

C16H20N2O3 — CID 11055336

IUPAC3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one
SMILESCC(C(=O)c1ccc2c(c1)oc(=O)n2C)N1CCCCC1
InChIInChI=1S/C16H20N2O3/c1-11(18-8-4-3-5-9-18)15(19)12-6-7-13-14(10-12)21-16(20)17(13)2/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyMETDQGSSEHAQFR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one

3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one (PubChem CID 11055336) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one
PubChem CID11055336
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one
SMILESCC(C(=O)c1ccc2c(c1)oc(=O)n2C)N1CCCCC1
InChIInChI=1S/C16H20N2O3/c1-11(18-8-4-3-5-9-18)15(19)12-6-7-13-14(10-12)21-16(20)17(13)2/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyMETDQGSSEHAQFR-UHFFFAOYSA-N
XLogP2.19
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one (CID 11055336) is 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one is CC(C(=O)c1ccc2c(c1)oc(=O)n2C)N1CCCCC1.
What is the InChIKey of 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one?
The InChIKey is METDQGSSEHAQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(18-8-4-3-5-9-18)15(19)12-6-7-13-14(10-12)21-16(20)17(13)2/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one?
3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 11055336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).