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

C17H23N5O2 — CID 75371223

IUPAC2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCCC(C)C(=O)N1CCCCC1c1nc(-c2ncccn2)no1
InChIInChI=1S/C17H23N5O2/c1-3-7-12(2)17(23)22-11-5-4-8-13(22)16-20-15(21-24-16)14-18-9-6-10-19-14/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3
InChIKeyDPVVXZFODIIZBH-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.02
Rot. Bonds5

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

2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (PubChem CID 75371223) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
PubChem CID75371223
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCCC(C)C(=O)N1CCCCC1c1nc(-c2ncccn2)no1
InChIInChI=1S/C17H23N5O2/c1-3-7-12(2)17(23)22-11-5-4-8-13(22)16-20-15(21-24-16)14-18-9-6-10-19-14/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3
InChIKeyDPVVXZFODIIZBH-UHFFFAOYSA-N
XLogP3.02
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (CID 75371223) is 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is CCCC(C)C(=O)N1CCCCC1c1nc(-c2ncccn2)no1.
What is the InChIKey of 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is DPVVXZFODIIZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-7-12(2)17(23)22-11-5-4-8-13(22)16-20-15(21-24-16)14-18-9-6-10-19-14/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 75371223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).