2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate

C13H19N3O3 — CID 99798819

IUPAC2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate
SMILESCn1nccc1CC(=O)OCCN1CCCCC1=O
InChIInChI=1S/C13H19N3O3/c1-15-11(5-6-14-15)10-13(18)19-9-8-16-7-3-2-4-12(16)17/h5-6H,2-4,7-10H2,1H3
InChIKeyYODYQPZSAOOGQW-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.52
Rot. Bonds5

About 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate

2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate (PubChem CID 99798819) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate
PubChem CID99798819
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate
SMILESCn1nccc1CC(=O)OCCN1CCCCC1=O
InChIInChI=1S/C13H19N3O3/c1-15-11(5-6-14-15)10-13(18)19-9-8-16-7-3-2-4-12(16)17/h5-6H,2-4,7-10H2,1H3
InChIKeyYODYQPZSAOOGQW-UHFFFAOYSA-N
XLogP0.52
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate?
The IUPAC name of 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate (CID 99798819) is 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate is Cn1nccc1CC(=O)OCCN1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate?
The InChIKey is YODYQPZSAOOGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-11(5-6-14-15)10-13(18)19-9-8-16-7-3-2-4-12(16)17/h5-6H,2-4,7-10H2,1H3.
What are the key properties of 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate?
2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate has a molecular weight of 265.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)ethyl 2-(2-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 99798819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).