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

C20H37N5O3 — CID 121118148

IUPAC2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCCn1c(C2CCN(CC(=O)N(C(C)C)C(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H37N5O3/c1-7-23-19(21-24(20(23)27)12-13-28-6)17-8-10-22(11-9-17)14-18(26)25(15(2)3)16(4)5/h15-17H,7-14H2,1-6H3
InChIKeyQZMPVHRXNLUNGV-UHFFFAOYSA-N
MW395.55 g/mol
LogP1.54
Rot. Bonds9

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

2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 121118148) has the molecular formula C20H37N5O3 and a molecular weight of 395.55 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,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID121118148
Molecular FormulaC20H37N5O3
Molecular Weight395.55 g/mol
Exact Mass395.29
IUPAC Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCCn1c(C2CCN(CC(=O)N(C(C)C)C(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H37N5O3/c1-7-23-19(21-24(20(23)27)12-13-28-6)17-8-10-22(11-9-17)14-18(26)25(15(2)3)16(4)5/h15-17H,7-14H2,1-6H3
InChIKeyQZMPVHRXNLUNGV-UHFFFAOYSA-N
XLogP1.54
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-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 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 121118148) is 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)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,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide is CCn1c(C2CCN(CC(=O)N(C(C)C)C(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,N-di(propan-2-yl)acetamide?
The InChIKey is QZMPVHRXNLUNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O3/c1-7-23-19(21-24(20(23)27)12-13-28-6)17-8-10-22(11-9-17)14-18(26)25(15(2)3)16(4)5/h15-17H,7-14H2,1-6H3.
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,N-di(propan-2-yl)acetamide?
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 1.54, 9 rotatable bonds, 0 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 121118148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).