3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile

C19H24N4O4 — CID 155913832

IUPAC3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile
SMILESCOCc1noc(CN2CCCC(COc3ccc(C#N)cc3OC)C2)n1
InChIInChI=1S/C19H24N4O4/c1-24-13-18-21-19(27-22-18)11-23-7-3-4-15(10-23)12-26-16-6-5-14(9-20)8-17(16)25-2/h5-6,8,15H,3-4,7,10-13H2,1-2H3
InChIKeyHSCBCABLDGTEBX-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.39
Rot. Bonds8

About 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile

3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile (PubChem CID 155913832) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile
PubChem CID155913832
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile
SMILESCOCc1noc(CN2CCCC(COc3ccc(C#N)cc3OC)C2)n1
InChIInChI=1S/C19H24N4O4/c1-24-13-18-21-19(27-22-18)11-23-7-3-4-15(10-23)12-26-16-6-5-14(9-20)8-17(16)25-2/h5-6,8,15H,3-4,7,10-13H2,1-2H3
InChIKeyHSCBCABLDGTEBX-UHFFFAOYSA-N
XLogP2.39
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile with MolForge

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Related Compounds

3-methoxy-4-[[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methoxy]benzonitrile
CID 155915213
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45175492
3-methoxy-4-[[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]benzonitrile
CID 155916379
3-benzyl-5-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45251270
3-benzyl-5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42395337
5-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97197370
[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
CID 111442495
5-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 163352717
3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
CID 155918127
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 113235336
3-methoxy-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31434194
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 60722210

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile?
The IUPAC name of 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile (CID 155913832) is 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile is COCc1noc(CN2CCCC(COc3ccc(C#N)cc3OC)C2)n1.
What is the InChIKey of 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile?
The InChIKey is HSCBCABLDGTEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-24-13-18-21-19(27-22-18)11-23-7-3-4-15(10-23)12-26-16-6-5-14(9-20)8-17(16)25-2/h5-6,8,15H,3-4,7,10-13H2,1-2H3.
What are the key properties of 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile?
3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile has a molecular weight of 372.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile is sourced from PubChem (CID 155913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).