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

C9H15N3O — CID 21476662

IUPAC3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3O/c1-7-10-9(13-11-7)8-3-5-12(2)6-4-8/h8H,3-6H2,1-2H3
InChIKeyHZENOLUBOGMJKG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.19
Rot. Bonds1

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

3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 21476662) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID21476662
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3O/c1-7-10-9(13-11-7)8-3-5-12(2)6-4-8/h8H,3-6H2,1-2H3
InChIKeyHZENOLUBOGMJKG-UHFFFAOYSA-N
XLogP1.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
CID 162193867
CID 162193867
5-[1-(2-ethenoxyethyl)piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 167969051
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 63346585
2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol
CID 111332747
N-methyl-1-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115077172
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 130653621
4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 59556428
N-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570907
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]piperidin-1-yl]ethanol
CID 123323943
1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one
CID 136578688

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 21476662) is 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole is Cc1noc(C2CCN(C)CC2)n1.
What is the InChIKey of 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is HZENOLUBOGMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-10-9(13-11-7)8-3-5-12(2)6-4-8/h8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 21476662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).