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

C18H26N4O3 — CID 124755014

IUPAC5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCC[C@H](c3nc(CC(C)C)no3)C2)cc1=O
InChIInChI=1S/C18H26N4O3/c1-12(2)7-17-20-18(25-21-17)13-5-4-6-22(10-13)11-14-8-15(23)16(24-3)9-19-14/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyPJIXTUFMBLIWDT-ZDUSSCGKSA-N
MW346.43 g/mol
LogP2.34
Rot. Bonds6

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

5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one (PubChem CID 124755014) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
PubChem CID124755014
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCC[C@H](c3nc(CC(C)C)no3)C2)cc1=O
InChIInChI=1S/C18H26N4O3/c1-12(2)7-17-20-18(25-21-17)13-5-4-6-22(10-13)11-14-8-15(23)16(24-3)9-19-14/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyPJIXTUFMBLIWDT-ZDUSSCGKSA-N
XLogP2.34
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one (CID 124755014) is 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN2CCC[C@H](c3nc(CC(C)C)no3)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one?
The InChIKey is PJIXTUFMBLIWDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(2)7-17-20-18(25-21-17)13-5-4-6-22(10-13)11-14-8-15(23)16(24-3)9-19-14/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one has a molecular weight of 346.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 124755014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).