5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C16H22N4O3 — CID 135106283

IUPAC5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1nc(CN2CCC(OCc3ccccn3)CC2)no1
InChIInChI=1S/C16H22N4O3/c1-21-12-16-18-15(19-23-16)10-20-8-5-14(6-9-20)22-11-13-4-2-3-7-17-13/h2-4,7,14H,5-6,8-12H2,1H3
InChIKeyVYRNSBNUXHJGMP-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.79
Rot. Bonds7

About 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 135106283) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID135106283
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1nc(CN2CCC(OCc3ccccn3)CC2)no1
InChIInChI=1S/C16H22N4O3/c1-21-12-16-18-15(19-23-16)10-20-8-5-14(6-9-20)22-11-13-4-2-3-7-17-13/h2-4,7,14H,5-6,8-12H2,1H3
InChIKeyVYRNSBNUXHJGMP-UHFFFAOYSA-N
XLogP1.79
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752666
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45203283
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 134018585
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659
2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine
CID 91830622
5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42532058
5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42101463
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774467
2-[[1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperidin-4-yl]oxymethyl]pyridine
CID 99953756

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 135106283) is 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCc1nc(CN2CCC(OCc3ccccn3)CC2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is VYRNSBNUXHJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-21-12-16-18-15(19-23-16)10-20-8-5-14(6-9-20)22-11-13-4-2-3-7-17-13/h2-4,7,14H,5-6,8-12H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 135106283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).