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

C22H25N5O3 — CID 167769575

IUPAC3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one
SMILESCCn1c(C2CCN(C(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)CC2)n[nH]c1=O
InChIInChI=1S/C22H25N5O3/c1-3-27-19(24-25-22(27)30)16-9-11-26(12-10-16)21(29)18-13-17(14(2)23-20(18)28)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3,(H,23,28)(H,25,30)
InChIKeyVWBCEOHSPDNGMS-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.27
Rot. Bonds4

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

3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one (PubChem CID 167769575) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one
PubChem CID167769575
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one
SMILESCCn1c(C2CCN(C(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)CC2)n[nH]c1=O
InChIInChI=1S/C22H25N5O3/c1-3-27-19(24-25-22(27)30)16-9-11-26(12-10-16)21(29)18-13-17(14(2)23-20(18)28)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3,(H,23,28)(H,25,30)
InChIKeyVWBCEOHSPDNGMS-UHFFFAOYSA-N
XLogP2.27
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56758939
4-ethyl-3-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56717870
5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001743
ethyl 5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 50971103
3-[1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56712868
4-ethyl-3-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50971877
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50969210
N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide
CID 96529433
3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56713056
4-ethyl-3-[1-[2-(4-methylsulfonylphenyl)acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56722850
3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 118771981
3-[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]-4-benzyl-1H-1,2,4-triazol-5-one
CID 56703305

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one (CID 167769575) is 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one is CCn1c(C2CCN(C(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)CC2)n[nH]c1=O.
What is the InChIKey of 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one?
The InChIKey is VWBCEOHSPDNGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-27-19(24-25-22(27)30)16-9-11-26(12-10-16)21(29)18-13-17(14(2)23-20(18)28)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3,(H,23,28)(H,25,30).
What are the key properties of 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one?
3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one has a molecular weight of 407.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 167769575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).