5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one

C13H19N3O2 — CID 139599312

IUPAC5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one
SMILESCN1CC(CN2CCc3nocc3C2)CCC1=O
InChIInChI=1S/C13H19N3O2/c1-15-6-10(2-3-13(15)17)7-16-5-4-12-11(8-16)9-18-14-12/h9-10H,2-8H2,1H3
InChIKeyWYNYBBXRGOCSQA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.90
Rot. Bonds2

About 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one

5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one (PubChem CID 139599312) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one
PubChem CID139599312
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one
SMILESCN1CC(CN2CCc3nocc3C2)CCC1=O
InChIInChI=1S/C13H19N3O2/c1-15-6-10(2-3-13(15)17)7-16-5-4-12-11(8-16)9-18-14-12/h9-10H,2-8H2,1H3
InChIKeyWYNYBBXRGOCSQA-UHFFFAOYSA-N
XLogP0.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one?
The IUPAC name of 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one (CID 139599312) is 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one is CN1CC(CN2CCc3nocc3C2)CCC1=O.
What is the InChIKey of 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one?
The InChIKey is WYNYBBXRGOCSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-10(2-3-13(15)17)7-16-5-4-12-11(8-16)9-18-14-12/h9-10H,2-8H2,1H3.
What are the key properties of 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one?
5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 139599312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).