2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C19H33N5O4 — CID 121118201

IUPAC2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCn1c(C2CCN(CC(=O)NCC3CCCO3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C19H33N5O4/c1-3-23-18(21-24(19(23)26)10-12-27-2)15-6-8-22(9-7-15)14-17(25)20-13-16-5-4-11-28-16/h15-16H,3-14H2,1-2H3,(H,20,25)
InChIKeyKNRGAXAJESQCJB-UHFFFAOYSA-N
MW395.50 g/mol
LogP0.19
Rot. Bonds9

About 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 121118201) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 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-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID121118201
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCn1c(C2CCN(CC(=O)NCC3CCCO3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C19H33N5O4/c1-3-23-18(21-24(19(23)26)10-12-27-2)15-6-8-22(9-7-15)14-17(25)20-13-16-5-4-11-28-16/h15-16H,3-14H2,1-2H3,(H,20,25)
InChIKeyKNRGAXAJESQCJB-UHFFFAOYSA-N
XLogP0.19
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 121118201) is 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
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-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is CCn1c(C2CCN(CC(=O)NCC3CCCO3)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-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KNRGAXAJESQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4/c1-3-23-18(21-24(19(23)26)10-12-27-2)15-6-8-22(9-7-15)14-17(25)20-13-16-5-4-11-28-16/h15-16H,3-14H2,1-2H3,(H,20,25).
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-(oxolan-2-ylmethyl)acetamide?
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 0.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 121118201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).