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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Related Compounds

1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 135096582
3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 137335528
1-[4-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 137341546
1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone
CID 137337439
1-[4-methyl-2-(oxan-4-yl)pyrimidin-5-yl]ethanone
CID 65334515
1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135104601
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 119073266
1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135119885
1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone
CID 65389490
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800

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).