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

C19H19N5O — CID 155965920

IUPAC1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCN1CCC(c2nc(-c3ccncc3)nn2-c2ccccc2)CC1=O
InChIInChI=1S/C19H19N5O/c1-23-12-9-15(13-17(23)25)19-21-18(14-7-10-20-11-8-14)22-24(19)16-5-3-2-4-6-16/h2-8,10-11,15H,9,12-13H2,1H3
InChIKeyAJEKIFMZAJUSGI-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.67
Rot. Bonds3

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

1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one (PubChem CID 155965920) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one
PubChem CID155965920
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCN1CCC(c2nc(-c3ccncc3)nn2-c2ccccc2)CC1=O
InChIInChI=1S/C19H19N5O/c1-23-12-9-15(13-17(23)25)19-21-18(14-7-10-20-11-8-14)22-24(19)16-5-3-2-4-6-16/h2-8,10-11,15H,9,12-13H2,1H3
InChIKeyAJEKIFMZAJUSGI-UHFFFAOYSA-N
XLogP2.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one?
The IUPAC name of 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one (CID 155965920) is 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one.
What is the SMILES notation for 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one?
The canonical SMILES for 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one is CN1CCC(c2nc(-c3ccncc3)nn2-c2ccccc2)CC1=O.
What is the InChIKey of 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one?
The InChIKey is AJEKIFMZAJUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-12-9-15(13-17(23)25)19-21-18(14-7-10-20-11-8-14)22-24(19)16-5-3-2-4-6-16/h2-8,10-11,15H,9,12-13H2,1H3.
What are the key properties of 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one?
1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one is sourced from PubChem (CID 155965920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).