2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide

C17H31N5O3 — CID 121118213

IUPAC2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCCn1c(C2CCN(CC(=O)NC(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C17H31N5O3/c1-5-21-16(19-22(17(21)24)10-11-25-4)14-6-8-20(9-7-14)12-15(23)18-13(2)3/h13-14H,5-12H2,1-4H3,(H,18,23)
InChIKeyGVYCQTNOCQZMEI-UHFFFAOYSA-N
MW353.47 g/mol
LogP0.42
Rot. Bonds8

About 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 121118213) has the molecular formula C17H31N5O3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID121118213
Molecular FormulaC17H31N5O3
Molecular Weight353.47 g/mol
Exact Mass353.24
IUPAC Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCCn1c(C2CCN(CC(=O)NC(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C17H31N5O3/c1-5-21-16(19-22(17(21)24)10-11-25-4)14-6-8-20(9-7-14)12-15(23)18-13(2)3/h13-14H,5-12H2,1-4H3,(H,18,23)
InChIKeyGVYCQTNOCQZMEI-UHFFFAOYSA-N
XLogP0.42
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide (CID 121118213) is 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide is CCn1c(C2CCN(CC(=O)NC(C)C)CC2)nn(CCOC)c1=O.
What is the InChIKey of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is GVYCQTNOCQZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3/c1-5-21-16(19-22(17(21)24)10-11-25-4)14-6-8-20(9-7-14)12-15(23)18-13(2)3/h13-14H,5-12H2,1-4H3,(H,18,23).
What are the key properties of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 353.47 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 121118213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).