(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate

C12H18N4O3 — CID 61315409

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C12H18N4O3/c13-10-6-14-16(7-10)8-12(18)19-9-11(17)15-4-2-1-3-5-15/h6-7H,1-5,8-9,13H2
InChIKeyNSIIYBJJNCCSGY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.02
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate

(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61315409) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61315409
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C12H18N4O3/c13-10-6-14-16(7-10)8-12(18)19-9-11(17)15-4-2-1-3-5-15/h6-7H,1-5,8-9,13H2
InChIKeyNSIIYBJJNCCSGY-UHFFFAOYSA-N
XLogP0.02
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315416
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-aminopyrazol-1-yl)acetate
CID 61492270
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81096183
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
2-methylsulfonylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315217
[3-(methylamino)-3-oxopropyl] 2-(4-aminopyrazol-1-yl)acetate
CID 62325201
2-(4-aminopyrazol-1-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104758227
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate (CID 61315409) is (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate is Nc1cnn(CC(=O)OCC(=O)N2CCCCC2)c1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is NSIIYBJJNCCSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-10-6-14-16(7-10)8-12(18)19-9-11(17)15-4-2-1-3-5-15/h6-7H,1-5,8-9,13H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 266.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61315409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).