[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C19H19N5O — CID 53192818

IUPAC[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2nncn2-c2ccccc2)C1
InChIInChI=1S/C19H19N5O/c25-19(17-10-4-5-11-20-17)23-12-6-7-15(13-23)18-22-21-14-24(18)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2
InChIKeyUJQNATTUZIBDHU-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.68
Rot. Bonds3

About [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 53192818) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID53192818
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2nncn2-c2ccccc2)C1
InChIInChI=1S/C19H19N5O/c25-19(17-10-4-5-11-20-17)23-12-6-7-15(13-23)18-22-21-14-24(18)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2
InChIKeyUJQNATTUZIBDHU-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192830
2-methyl-4-phenyl-5-[1-(pyridine-2-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 90541003
N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
CID 95111479
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 53192818) is [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(c2nncn2-c2ccccc2)C1.
What is the InChIKey of [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is UJQNATTUZIBDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(17-10-4-5-11-20-17)23-12-6-7-15(13-23)18-22-21-14-24(18)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2.
What are the key properties of [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 53192818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).