(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone

C9H13N3O2 — CID 155633060

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone
SMILESCc1noc(C(=O)C2CCNCC2)n1
InChIInChI=1S/C9H13N3O2/c1-6-11-9(14-12-6)8(13)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3
InChIKeyCVFZSGFFBDSDFV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.56
Rot. Bonds2

About (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone

(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone (PubChem CID 155633060) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone
PubChem CID155633060
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone
SMILESCc1noc(C(=O)C2CCNCC2)n1
InChIInChI=1S/C9H13N3O2/c1-6-11-9(14-12-6)8(13)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3
InChIKeyCVFZSGFFBDSDFV-UHFFFAOYSA-N
XLogP0.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone (CID 155633060) is (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone is Cc1noc(C(=O)C2CCNCC2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone?
The InChIKey is CVFZSGFFBDSDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-11-9(14-12-6)8(13)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone?
(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone has a molecular weight of 195.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 155633060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).