(2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C16H21N5O3 — CID 55737699

IUPAC(2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC(C)c1c(C(=O)OCC(=O)N2CCCCC2)cnc2ncnn12
InChIInChI=1S/C16H21N5O3/c1-11(2)14-12(8-17-16-18-10-19-21(14)16)15(23)24-9-13(22)20-6-4-3-5-7-20/h8,10-11H,3-7,9H2,1-2H3
InChIKeyQUJCQRRAHUAQCX-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.42
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 55737699) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID55737699
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC(C)c1c(C(=O)OCC(=O)N2CCCCC2)cnc2ncnn12
InChIInChI=1S/C16H21N5O3/c1-11(2)14-12(8-17-16-18-10-19-21(14)16)15(23)24-9-13(22)20-6-4-3-5-7-20/h8,10-11H,3-7,9H2,1-2H3
InChIKeyQUJCQRRAHUAQCX-UHFFFAOYSA-N
XLogP1.42
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 55737608
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 55995734
[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 55994958
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 55995992
[2-(azepan-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 23935201
[2-(azepan-1-yl)-2-oxoethyl] 2-ethyl-1H-imidazole-5-carboxylate
CID 75395343
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256
[2-(azepan-1-yl)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316115
(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate
CID 23831647
(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648945
(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
CID 2687681
[2-(azepan-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2625779

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 55737699) is (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CC(C)c1c(C(=O)OCC(=O)N2CCCCC2)cnc2ncnn12.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QUJCQRRAHUAQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11(2)14-12(8-17-16-18-10-19-21(14)16)15(23)24-9-13(22)20-6-4-3-5-7-20/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 55737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).