[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C14H19N5O2 — CID 110271099

IUPAC[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1noc(C2(C)CCCN(C(=O)c3cnn(C)c3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-10-16-13(21-17-10)14(2)5-4-6-19(9-14)12(20)11-7-15-18(3)8-11/h7-8H,4-6,9H2,1-3H3
InChIKeyTUKJSEIMKNMZJJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.31
Rot. Bonds2

About [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110271099) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110271099
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1noc(C2(C)CCCN(C(=O)c3cnn(C)c3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-10-16-13(21-17-10)14(2)5-4-6-19(9-14)12(20)11-7-15-18(3)8-11/h7-8H,4-6,9H2,1-3H3
InChIKeyTUKJSEIMKNMZJJ-UHFFFAOYSA-N
XLogP1.31
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110271099) is [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1noc(C2(C)CCCN(C(=O)c3cnn(C)c3)C2)n1.
What is the InChIKey of [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is TUKJSEIMKNMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-16-13(21-17-10)14(2)5-4-6-19(9-14)12(20)11-7-15-18(3)8-11/h7-8H,4-6,9H2,1-3H3.
What are the key properties of [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110271099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).