4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one

C16H28N4O3 — CID 121115121

IUPAC4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)C(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C16H28N4O3/c1-5-19-14(17-20(16(19)22)10-11-23-4)13-6-8-18(9-7-13)15(21)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyLTWVRWGSIOUPNX-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.07
Rot. Bonds6

About 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 121115121) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID121115121
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)C(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C16H28N4O3/c1-5-19-14(17-20(16(19)22)10-11-23-4)13-6-8-18(9-7-13)15(21)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyLTWVRWGSIOUPNX-UHFFFAOYSA-N
XLogP1.07
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 121115121) is 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(C(=O)C(C)C)CC2)nn(CCOC)c1=O.
What is the InChIKey of 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is LTWVRWGSIOUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-5-19-14(17-20(16(19)22)10-11-23-4)13-6-8-18(9-7-13)15(21)12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 324.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyethyl)-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121115121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).