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

C21H23N5O3 — CID 56714638

IUPAC6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1nc(CC2CCN(C(=O)c3cccc(=O)[nH]3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H23N5O3/c1-24-21(29)26(16-6-3-2-4-7-16)18(23-24)14-15-10-12-25(13-11-15)20(28)17-8-5-9-19(27)22-17/h2-9,15H,10-14H2,1H3,(H,22,27)
InChIKeyIPUASNXCNJFVKQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.35
Rot. Bonds4

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

6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56714638) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56714638
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1nc(CC2CCN(C(=O)c3cccc(=O)[nH]3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H23N5O3/c1-24-21(29)26(16-6-3-2-4-7-16)18(23-24)14-15-10-12-25(13-11-15)20(28)17-8-5-9-19(27)22-17/h2-9,15H,10-14H2,1H3,(H,22,27)
InChIKeyIPUASNXCNJFVKQ-UHFFFAOYSA-N
XLogP1.35
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-methyl-5-[[1-[2-[(1R)-2-oxocyclopentyl]acetyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 95217436
5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56710639
5-[[1-[(2R)-2-methoxybutanoyl]piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 95201589
6-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 110102771
6-[4-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56708356
2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 56719785
2-methyl-5-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 56711505
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
4-ethyl-5-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 56739249
2-methyl-5-[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540453

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56714638) is 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cn1nc(CC2CCN(C(=O)c3cccc(=O)[nH]3)CC2)n(-c2ccccc2)c1=O.
What is the InChIKey of 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is IPUASNXCNJFVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-24-21(29)26(16-6-3-2-4-7-16)18(23-24)14-15-10-12-25(13-11-15)20(28)17-8-5-9-19(27)22-17/h2-9,15H,10-14H2,1H3,(H,22,27).
What are the key properties of 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 393.45 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56714638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).