3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride

C11H16ClN3O2 — CID 171688106

IUPAC3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride
SMILESCl.O=C1NCCc2onc(C3CCNCC3)c21
InChIInChI=1S/C11H15N3O2.ClH/c15-11-9-8(3-6-13-11)16-14-10(9)7-1-4-12-5-2-7;/h7,12H,1-6H2,(H,13,15);1H
InChIKeyZTVZJSFRTRVBFZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.85
Rot. Bonds1

About 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride

3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride (PubChem CID 171688106) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride
PubChem CID171688106
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride
SMILESCl.O=C1NCCc2onc(C3CCNCC3)c21
InChIInChI=1S/C11H15N3O2.ClH/c15-11-9-8(3-6-13-11)16-14-10(9)7-1-4-12-5-2-7;/h7,12H,1-6H2,(H,13,15);1H
InChIKeyZTVZJSFRTRVBFZ-UHFFFAOYSA-N
XLogP0.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride (CID 171688106) is 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride is Cl.O=C1NCCc2onc(C3CCNCC3)c21.
What is the InChIKey of 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
The InChIKey is ZTVZJSFRTRVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c15-11-9-8(3-6-13-11)16-14-10(9)7-1-4-12-5-2-7;/h7,12H,1-6H2,(H,13,15);1H.
What are the key properties of 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 171688106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).