3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole

C11H19N3O2 — CID 116701833

IUPAC3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(C2CCCCN2)n1
InChIInChI=1S/C11H19N3O2/c1-3-9(15-2)10-13-11(16-14-10)8-6-4-5-7-12-8/h8-9,12H,3-7H2,1-2H3
InChIKeyBNWTXFMQRGGRQF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.98
Rot. Bonds4

About 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole

3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 116701833) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID116701833
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(C2CCCCN2)n1
InChIInChI=1S/C11H19N3O2/c1-3-9(15-2)10-13-11(16-14-10)8-6-4-5-7-12-8/h8-9,12H,3-7H2,1-2H3
InChIKeyBNWTXFMQRGGRQF-UHFFFAOYSA-N
XLogP1.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116703281
5-(azepan-2-yl)-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704264
3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900856
(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812910
3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743655
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 116732781
3-[cyclohexyl(ethoxy)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116743568
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116702661
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732527
N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
CID 116806371

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 116701833) is 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole is CCC(OC)c1noc(C2CCCCN2)n1.
What is the InChIKey of 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is BNWTXFMQRGGRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9(15-2)10-13-11(16-14-10)8-6-4-5-7-12-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116701833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).