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

C20H21N5O2 — CID 118771981

IUPAC3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)n[nH]1
InChIInChI=1S/C20H21N5O2/c1-13-21-18(24-23-13)15-9-11-25(12-10-15)20(27)16-7-8-17(22-19(16)26)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3,(H,22,26)(H,21,23,24)
InChIKeySPIBKKNKLABQJF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.49
Rot. Bonds3

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

3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 118771981) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
PubChem CID118771981
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)n[nH]1
InChIInChI=1S/C20H21N5O2/c1-13-21-18(24-23-13)15-9-11-25(12-10-15)20(27)16-7-8-17(22-19(16)26)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3,(H,22,26)(H,21,23,24)
InChIKeySPIBKKNKLABQJF-UHFFFAOYSA-N
XLogP2.49
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118793666
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316
(3-chloro-4-pyridinyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118790896
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
CID 119637585
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
(4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128721430
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 75404213
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
6-phenyl-3-(1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
CID 125483735
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 118771981) is 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is Cc1nc(C2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)n[nH]1.
What is the InChIKey of 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is SPIBKKNKLABQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-21-18(24-23-13)15-9-11-25(12-10-15)20(27)16-7-8-17(22-19(16)26)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 118771981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).