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

C18H26N4O3S — CID 71793170

IUPAC4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)c3cc(C)cs3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C18H26N4O3S/c1-4-21-16(19-22(18(21)24)9-10-25-3)14-5-7-20(8-6-14)17(23)15-11-13(2)12-26-15/h11-12,14H,4-10H2,1-3H3
InChIKeyUZBJDVSIQJLCOO-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.10
Rot. Bonds6

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

4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 71793170) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID71793170
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)c3cc(C)cs3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C18H26N4O3S/c1-4-21-16(19-22(18(21)24)9-10-25-3)14-5-7-20(8-6-14)17(23)15-11-13(2)12-26-15/h11-12,14H,4-10H2,1-3H3
InChIKeyUZBJDVSIQJLCOO-UHFFFAOYSA-N
XLogP2.10
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 71793170) is 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(C(=O)c3cc(C)cs3)CC2)nn(CCOC)c1=O.
What is the InChIKey of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is UZBJDVSIQJLCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-21-16(19-22(18(21)24)9-10-25-3)14-5-7-20(8-6-14)17(23)15-11-13(2)12-26-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 378.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 71793170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).