5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

C21H24N4O2 — CID 138380020

IUPAC5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2nc(CN3CCC(Cc4ccc(=O)[nH]c4)CC3)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-15-2-5-18(6-3-15)21-23-19(24-27-21)14-25-10-8-16(9-11-25)12-17-4-7-20(26)22-13-17/h2-7,13,16H,8-12,14H2,1H3,(H,22,26)
InChIKeyOWPJPASUQIWPQX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds5

About 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 138380020) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID138380020
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2nc(CN3CCC(Cc4ccc(=O)[nH]c4)CC3)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-15-2-5-18(6-3-15)21-23-19(24-27-21)14-25-10-8-16(9-11-25)12-17-4-7-20(26)22-13-17/h2-7,13,16H,8-12,14H2,1H3,(H,22,26)
InChIKeyOWPJPASUQIWPQX-UHFFFAOYSA-N
XLogP3.19
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 171908399
5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 43348682
(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 78963885
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 42879831
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134706760
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carbaldehyde
CID 62655496
[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370309
3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 59657770
5-(4-methylphenyl)-3-[(3-piperidin-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91840884
5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136816004
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 138380020) is 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is Cc1ccc(-c2nc(CN3CCC(Cc4ccc(=O)[nH]c4)CC3)no2)cc1.
What is the InChIKey of 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is OWPJPASUQIWPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-2-5-18(6-3-15)21-23-19(24-27-21)14-25-10-8-16(9-11-25)12-17-4-7-20(26)22-13-17/h2-7,13,16H,8-12,14H2,1H3,(H,22,26).
What are the key properties of 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138380020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).