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

C14H24N4O3 — CID 121115118

IUPAC5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(C)=O)CC2)nn(CCOC)c1=O
InChIInChI=1S/C14H24N4O3/c1-4-17-13(15-18(14(17)20)9-10-21-3)12-5-7-16(8-6-12)11(2)19/h12H,4-10H2,1-3H3
InChIKeyNFESPDKJRMQSFF-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.44
Rot. Bonds5

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

5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one (PubChem CID 121115118) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
PubChem CID121115118
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(C)=O)CC2)nn(CCOC)c1=O
InChIInChI=1S/C14H24N4O3/c1-4-17-13(15-18(14(17)20)9-10-21-3)12-5-7-16(8-6-12)11(2)19/h12H,4-10H2,1-3H3
InChIKeyNFESPDKJRMQSFF-UHFFFAOYSA-N
XLogP0.44
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one (CID 121115118) is 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one is CCn1c(C2CCN(C(C)=O)CC2)nn(CCOC)c1=O.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
The InChIKey is NFESPDKJRMQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-17-13(15-18(14(17)20)9-10-21-3)12-5-7-16(8-6-12)11(2)19/h12H,4-10H2,1-3H3.
What are the key properties of 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one has a molecular weight of 296.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121115118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).