3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine

C8H14N4O — CID 115079652

IUPAC3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCN1CCC(c2noc(N)n2)CC1
InChIInChI=1S/C8H14N4O/c1-12-4-2-6(3-5-12)7-10-8(9)13-11-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyBAEZDRDIBVTING-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.46
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine

3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 115079652) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine
PubChem CID115079652
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCN1CCC(c2noc(N)n2)CC1
InChIInChI=1S/C8H14N4O/c1-12-4-2-6(3-5-12)7-10-8(9)13-11-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyBAEZDRDIBVTING-UHFFFAOYSA-N
XLogP0.46
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
CID 115079643
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-amine
CID 112680518
3-(thian-4-yl)-1,2,4-oxadiazol-5-amine
CID 115016917
4-methyl-5-(1-methylpiperidin-4-yl)-1,3-oxazol-2-amine
CID 116831783
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
N-methyl-1-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115077172
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 130653621
1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-amine
CID 116827062
4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid
CID 116864964
5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 95817184

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine (CID 115079652) is 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine is CN1CCC(c2noc(N)n2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BAEZDRDIBVTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-4-2-6(3-5-12)7-10-8(9)13-11-7/h6H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine?
3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 182.23 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115079652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).