6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C19H19N5O3 — CID 56702008

IUPAC6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCCC(c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C19H19N5O3/c25-16-10-4-9-15(20-16)18(26)23-11-5-6-13(12-23)17-21-22-19(27)24(17)14-7-2-1-3-8-14/h1-4,7-10,13H,5-6,11-12H2,(H,20,25)(H,22,27)
InChIKeyZRCDOBXMAUDPJW-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.27
Rot. Bonds3

About 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56702008) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56702008
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCCC(c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C19H19N5O3/c25-16-10-4-9-15(20-16)18(26)23-11-5-6-13(12-23)17-21-22-19(27)24(17)14-7-2-1-3-8-14/h1-4,7-10,13H,5-6,11-12H2,(H,20,25)(H,22,27)
InChIKeyZRCDOBXMAUDPJW-UHFFFAOYSA-N
XLogP1.27
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56702008) is 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CCCC(c2n[nH]c(=O)n2-c2ccccc2)C1.
What is the InChIKey of 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZRCDOBXMAUDPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-16-10-4-9-15(20-16)18(26)23-11-5-6-13(12-23)17-21-22-19(27)24(17)14-7-2-1-3-8-14/h1-4,7-10,13H,5-6,11-12H2,(H,20,25)(H,22,27).
What are the key properties of 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 365.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56702008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).