5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole

C20H28N4O2 — CID 120841643

IUPAC5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccc(N4CCCCC4)cc3)no2)CCNCC1
InChIInChI=1S/C20H28N4O2/c1-25-15-20(9-11-21-12-10-20)19-22-18(23-26-19)16-5-7-17(8-6-16)24-13-3-2-4-14-24/h5-8,21H,2-4,9-15H2,1H3
InChIKeyBQWPZBTUWDRTSU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.99
Rot. Bonds5

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

5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 120841643) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID120841643
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccc(N4CCCCC4)cc3)no2)CCNCC1
InChIInChI=1S/C20H28N4O2/c1-25-15-20(9-11-21-12-10-20)19-22-18(23-26-19)16-5-7-17(8-6-16)24-13-3-2-4-14-24/h5-8,21H,2-4,9-15H2,1H3
InChIKeyBQWPZBTUWDRTSU-UHFFFAOYSA-N
XLogP2.99
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120836273
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120892284
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842233
5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 120834711
5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841555
5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 63125992
3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 69036653
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838500

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (CID 120841643) is 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is COCC1(c2nc(-c3ccc(N4CCCCC4)cc3)no2)CCNCC1.
What is the InChIKey of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is BQWPZBTUWDRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-25-15-20(9-11-21-12-10-20)19-22-18(23-26-19)16-5-7-17(8-6-16)24-13-3-2-4-14-24/h5-8,21H,2-4,9-15H2,1H3.
What are the key properties of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 356.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120841643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).