5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride

C16H22ClN3O2 — CID 90235203

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
SMILESCc1noc(C)c1-c1ccc(=O)n(CC2CCNCC2)c1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11-16(12(2)21-18-11)14-3-4-15(20)19(10-14)9-13-5-7-17-8-6-13;/h3-4,10,13,17H,5-9H2,1-2H3;1H
InChIKeyOFPYURLBQTWXPM-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.54
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride (PubChem CID 90235203) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
PubChem CID90235203
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
SMILESCc1noc(C)c1-c1ccc(=O)n(CC2CCNCC2)c1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11-16(12(2)21-18-11)14-3-4-15(20)19(10-14)9-13-5-7-17-8-6-13;/h3-4,10,13,17H,5-9H2,1-2H3;1H
InChIKeyOFPYURLBQTWXPM-UHFFFAOYSA-N
XLogP2.54
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride (CID 90235203) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride is Cc1noc(C)c1-c1ccc(=O)n(CC2CCNCC2)c1.Cl.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
The InChIKey is OFPYURLBQTWXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-11-16(12(2)21-18-11)14-3-4-15(20)19(10-14)9-13-5-7-17-8-6-13;/h3-4,10,13,17H,5-9H2,1-2H3;1H.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 90235203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).