5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one

C16H20N4O2 — CID 71793114

IUPAC5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one
SMILESCC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O2/c1-12(21)19-10-8-13(9-11-19)15-17-18(2)16(22)20(15)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3
InChIKeyGIXNAGKXAXBAPP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.30
Rot. Bonds2

About 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one

5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one (PubChem CID 71793114) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one
PubChem CID71793114
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one
SMILESCC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O2/c1-12(21)19-10-8-13(9-11-19)15-17-18(2)16(22)20(15)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3
InChIKeyGIXNAGKXAXBAPP-UHFFFAOYSA-N
XLogP1.30
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one (CID 71793114) is 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one is CC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one?
The InChIKey is GIXNAGKXAXBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(21)19-10-8-13(9-11-19)15-17-18(2)16(22)20(15)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one?
5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one has a molecular weight of 300.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 71793114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).