5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C13H22N4O — CID 115078374

IUPAC5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCN1CCCCC1Cc1nc(C2CCCN2)no1
InChIInChI=1S/C13H22N4O/c1-17-8-3-2-5-10(17)9-12-15-13(16-18-12)11-6-4-7-14-11/h10-11,14H,2-9H2,1H3
InChIKeyGGDYQLTUGYQISM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.52
Rot. Bonds3

About 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 115078374) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID115078374
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCN1CCCCC1Cc1nc(C2CCCN2)no1
InChIInChI=1S/C13H22N4O/c1-17-8-3-2-5-10(17)9-12-15-13(16-18-12)11-6-4-7-14-11/h10-11,14H,2-9H2,1H3
InChIKeyGGDYQLTUGYQISM-UHFFFAOYSA-N
XLogP1.52
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115078349
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-piperidin-2-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115077325
5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077336
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 115078374) is 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CN1CCCCC1Cc1nc(C2CCCN2)no1.
What is the InChIKey of 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is GGDYQLTUGYQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-8-3-2-5-10(17)9-12-15-13(16-18-12)11-6-4-7-14-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 250.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115078374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).