(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate

C12H19N5O3 — CID 61315506

IUPAC(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCC(OC(=O)Cn1cnc(N)n1)C(=O)N1CCCCC1
InChIInChI=1S/C12H19N5O3/c1-9(11(19)16-5-3-2-4-6-16)20-10(18)7-17-8-14-12(13)15-17/h8-9H,2-7H2,1H3,(H2,13,15)
InChIKeyIUCMXEZGVRBYLP-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.20
Rot. Bonds4

About (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate

(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61315506) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61315506
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCC(OC(=O)Cn1cnc(N)n1)C(=O)N1CCCCC1
InChIInChI=1S/C12H19N5O3/c1-9(11(19)16-5-3-2-4-6-16)20-10(18)7-17-8-14-12(13)15-17/h8-9H,2-7H2,1H3,(H2,13,15)
InChIKeyIUCMXEZGVRBYLP-UHFFFAOYSA-N
XLogP-0.20
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112249
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315416
2-(3-amino-1,2,4-triazol-1-yl)-1-(azepan-1-yl)propan-1-one
CID 54929712
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55701277
cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61310807
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 8852272
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
CID 18280251
2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 106203636
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124225
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] acetate
CID 168848786
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61315506) is (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate is CC(OC(=O)Cn1cnc(N)n1)C(=O)N1CCCCC1.
What is the InChIKey of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is IUCMXEZGVRBYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-9(11(19)16-5-3-2-4-6-16)20-10(18)7-17-8-14-12(13)15-17/h8-9H,2-7H2,1H3,(H2,13,15).
What are the key properties of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate?
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 281.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61315506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).