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

C21H22N4O3 — CID 136816004

IUPAC5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCc1ccc(CC(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-2-4-15(5-3-14)12-19(27)25-10-8-16(9-11-25)20-23-21(28-24-20)17-6-7-18(26)22-13-17/h2-7,13,16H,8-12H2,1H3,(H,22,26)
InChIKeySQVXLYSBWRXLIQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.68
Rot. Bonds4

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

5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 136816004) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID136816004
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCc1ccc(CC(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-2-4-15(5-3-14)12-19(27)25-10-8-16(9-11-25)20-23-21(28-24-20)17-6-7-18(26)22-13-17/h2-7,13,16H,8-12H2,1H3,(H,22,26)
InChIKeySQVXLYSBWRXLIQ-UHFFFAOYSA-N
XLogP2.68
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 136816004) is 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is Cc1ccc(CC(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)cc1.
What is the InChIKey of 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is SQVXLYSBWRXLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-2-4-15(5-3-14)12-19(27)25-10-8-16(9-11-25)20-23-21(28-24-20)17-6-7-18(26)22-13-17/h2-7,13,16H,8-12H2,1H3,(H,22,26).
What are the key properties of 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136816004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).