(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone

C11H16N2O3 — CID 115874476

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)(O)C2)on1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(16-12-8)10(14)13-5-3-4-11(2,15)7-13/h6,15H,3-5,7H2,1-2H3
InChIKeyWBZUZQVIGBBZGY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.97
Rot. Bonds1

About (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone

(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 115874476) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID115874476
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)(O)C2)on1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(16-12-8)10(14)13-5-3-4-11(2,15)7-13/h6,15H,3-5,7H2,1-2H3
InChIKeyWBZUZQVIGBBZGY-UHFFFAOYSA-N
XLogP0.97
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (CID 115874476) is (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCCC(C)(O)C2)on1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is WBZUZQVIGBBZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-6-9(16-12-8)10(14)13-5-3-4-11(2,15)7-13/h6,15H,3-5,7H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 115874476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).