3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one

C14H16N2O3 — CID 648170

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCCCC1
InChIInChI=1S/C14H16N2O3/c17-13(15-8-4-1-5-9-15)10-16-11-6-2-3-7-12(11)19-14(16)18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyBPMLWQYAKBSZTJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.61
Rot. Bonds2

About 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one

3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 648170) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
PubChem CID648170
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCCCC1
InChIInChI=1S/C14H16N2O3/c17-13(15-8-4-1-5-9-15)10-16-11-6-2-3-7-12(11)19-14(16)18/h2-3,6-7H,1,4-5,8-10H2
InChIKeyBPMLWQYAKBSZTJ-UHFFFAOYSA-N
XLogP1.61
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one (CID 648170) is 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is BPMLWQYAKBSZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(15-8-4-1-5-9-15)10-16-11-6-2-3-7-12(11)19-14(16)18/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 648170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).