(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate

C13H20N4O3 — CID 62112249

IUPAC(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
SMILESCC(OC(=O)Cn1ccc(N)n1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O3/c1-10(13(19)16-6-3-2-4-7-16)20-12(18)9-17-8-5-11(14)15-17/h5,8,10H,2-4,6-7,9H2,1H3,(H2,14,15)
InChIKeyCVYMDAXAOWMEEQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.41
Rot. Bonds4

About (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate

(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62112249) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62112249
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
SMILESCC(OC(=O)Cn1ccc(N)n1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O3/c1-10(13(19)16-6-3-2-4-7-16)20-12(18)9-17-8-5-11(14)15-17/h5,8,10H,2-4,6-7,9H2,1H3,(H2,14,15)
InChIKeyCVYMDAXAOWMEEQ-UHFFFAOYSA-N
XLogP0.41
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315506
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315416
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
CID 62114107
[1-(3-methylbutylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
CID 62111923
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
CID 55035689
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
CID 18280251
2-(3-aminopyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83013427
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55701277
1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide
CID 103194086
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 8852272
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate (CID 62112249) is (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate is CC(OC(=O)Cn1ccc(N)n1)C(=O)N1CCCCC1.
What is the InChIKey of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is CVYMDAXAOWMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10(13(19)16-6-3-2-4-7-16)20-12(18)9-17-8-5-11(14)15-17/h5,8,10H,2-4,6-7,9H2,1H3,(H2,14,15).
What are the key properties of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate?
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 280.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62112249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).