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

C12H19N3O — CID 47022087

IUPAC3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCCCN1Cc1nc(C2CC2)no1
InChIInChI=1S/C12H19N3O/c1-9-4-2-3-7-15(9)8-11-13-12(14-16-11)10-5-6-10/h9-10H,2-8H2,1H3
InChIKeyBYRQRAFNYSBIME-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds3

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

3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 47022087) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID47022087
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCCCN1Cc1nc(C2CC2)no1
InChIInChI=1S/C12H19N3O/c1-9-4-2-3-7-15(9)8-11-13-12(14-16-11)10-5-6-10/h9-10H,2-8H2,1H3
InChIKeyBYRQRAFNYSBIME-UHFFFAOYSA-N
XLogP2.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 47022087) is 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is CC1CCCCN1Cc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is BYRQRAFNYSBIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-2-3-7-15(9)8-11-13-12(14-16-11)10-5-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47022087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).