4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one

C15H26N4O3 — CID 121115120

IUPAC4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one
SMILESCCC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C15H26N4O3/c1-4-13(20)17-8-6-12(7-9-17)14-16-19(10-11-22-3)15(21)18(14)5-2/h12H,4-11H2,1-3H3
InChIKeyJPXDTMPZAWCATF-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.83
Rot. Bonds6

About 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one

4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one (PubChem CID 121115120) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one
PubChem CID121115120
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one
SMILESCCC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C15H26N4O3/c1-4-13(20)17-8-6-12(7-9-17)14-16-19(10-11-22-3)15(21)18(14)5-2/h12H,4-11H2,1-3H3
InChIKeyJPXDTMPZAWCATF-UHFFFAOYSA-N
XLogP0.83
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.83
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-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one (CID 121115120) is 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one is CCC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1.
What is the InChIKey of 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one?
The InChIKey is JPXDTMPZAWCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-13(20)17-8-6-12(7-9-17)14-16-19(10-11-22-3)15(21)18(14)5-2/h12H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one?
4-ethyl-2-(2-methoxyethyl)-5-(1-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one has a molecular weight of 310.40 g/mol, XLogP of 0.83, 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-propanoylpiperidin-4-yl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121115120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).