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

C18H33N5O3 — CID 121118143

IUPACN,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C18H33N5O3/c1-5-21(6-2)16(24)14-20-10-8-15(9-11-20)17-19-23(12-13-26-4)18(25)22(17)7-3/h15H,5-14H2,1-4H3
InChIKeyXSFHLNCUJPJQNA-UHFFFAOYSA-N
MW367.49 g/mol
LogP0.76
Rot. Bonds9

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

N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 121118143) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID121118143
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC NameN,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C18H33N5O3/c1-5-21(6-2)16(24)14-20-10-8-15(9-11-20)17-19-23(12-13-26-4)18(25)22(17)7-3/h15H,5-14H2,1-4H3
InChIKeyXSFHLNCUJPJQNA-UHFFFAOYSA-N
XLogP0.76
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 121118143) is N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(c2nn(CCOC)c(=O)n2CC)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is XSFHLNCUJPJQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O3/c1-5-21(6-2)16(24)14-20-10-8-15(9-11-20)17-19-23(12-13-26-4)18(25)22(17)7-3/h15H,5-14H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 0.76, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 121118143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).