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

C18H32N6O4 — CID 121118216

IUPAC2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCn1c(C2CCN(CC(=O)NC(=O)NC(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C18H32N6O4/c1-5-23-16(21-24(18(23)27)10-11-28-4)14-6-8-22(9-7-14)12-15(25)20-17(26)19-13(2)3/h13-14H,5-12H2,1-4H3,(H2,19,20,25,26)
InChIKeyOAUJTCKXORLQJS-UHFFFAOYSA-N
MW396.49 g/mol
LogP0.12
Rot. Bonds8

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

2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 121118216) has the molecular formula C18H32N6O4 and a molecular weight of 396.49 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-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID121118216
Molecular FormulaC18H32N6O4
Molecular Weight396.49 g/mol
Exact Mass396.25
IUPAC Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCn1c(C2CCN(CC(=O)NC(=O)NC(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C18H32N6O4/c1-5-23-16(21-24(18(23)27)10-11-28-4)14-6-8-22(9-7-14)12-15(25)20-17(26)19-13(2)3/h13-14H,5-12H2,1-4H3,(H2,19,20,25,26)
InChIKeyOAUJTCKXORLQJS-UHFFFAOYSA-N
XLogP0.12
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.12
H-Bond Donors ≤ 52
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-(propan-2-ylcarbamoyl)acetamide?
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-ylcarbamoyl)acetamide (CID 121118216) is 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)acetamide?
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-ylcarbamoyl)acetamide is CCn1c(C2CCN(CC(=O)NC(=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-ylcarbamoyl)acetamide?
The InChIKey is OAUJTCKXORLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O4/c1-5-23-16(21-24(18(23)27)10-11-28-4)14-6-8-22(9-7-14)12-15(25)20-17(26)19-13(2)3/h13-14H,5-12H2,1-4H3,(H2,19,20,25,26).
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-ylcarbamoyl)acetamide?
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 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-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 121118216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).