1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone

C14H17N5O2 — CID 72863951

IUPAC1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(c3ncon3)CC2)nc1C
InChIInChI=1S/C14H17N5O2/c1-9-12(10(2)20)7-15-14(17-9)19-5-3-11(4-6-19)13-16-8-21-18-13/h7-8,11H,3-6H2,1-2H3
InChIKeyWQTFZSXZDQUGCK-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.75
Rot. Bonds3

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

1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone (PubChem CID 72863951) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
PubChem CID72863951
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(c3ncon3)CC2)nc1C
InChIInChI=1S/C14H17N5O2/c1-9-12(10(2)20)7-15-14(17-9)19-5-3-11(4-6-19)13-16-8-21-18-13/h7-8,11H,3-6H2,1-2H3
InChIKeyWQTFZSXZDQUGCK-UHFFFAOYSA-N
XLogP1.75
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone (CID 72863951) is 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone is CC(=O)c1cnc(N2CCC(c3ncon3)CC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
The InChIKey is WQTFZSXZDQUGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-12(10(2)20)7-15-14(17-9)19-5-3-11(4-6-19)13-16-8-21-18-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 72863951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).