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

C13H21N3O2 — CID 120841526

IUPAC3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOCC1(c2nc(CC3CC3)no2)CCNCC1
InChIInChI=1S/C13H21N3O2/c1-17-9-13(4-6-14-7-5-13)12-15-11(16-18-12)8-10-2-3-10/h10,14H,2-9H2,1H3
InChIKeyNQXHMQKVESEFLF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.29
Rot. Bonds5

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

3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 120841526) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID120841526
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOCC1(c2nc(CC3CC3)no2)CCNCC1
InChIInChI=1S/C13H21N3O2/c1-17-9-13(4-6-14-7-5-13)12-15-11(16-18-12)8-10-2-3-10/h10,14H,2-9H2,1H3
InChIKeyNQXHMQKVESEFLF-UHFFFAOYSA-N
XLogP1.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 120841526) is 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole is COCC1(c2nc(CC3CC3)no2)CCNCC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is NQXHMQKVESEFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-9-13(4-6-14-7-5-13)12-15-11(16-18-12)8-10-2-3-10/h10,14H,2-9H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120841526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).