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

C13H21N3O2 — CID 73440219

IUPAC2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C2(C)CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)11(17)16-7-5-13(4,6-8-16)12-14-10(3)15-18-12/h9H,5-8H2,1-4H3
InChIKeyWQZPMBOZQFGTLR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds2

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

2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 73440219) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID73440219
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C2(C)CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)11(17)16-7-5-13(4,6-8-16)12-14-10(3)15-18-12/h9H,5-8H2,1-4H3
InChIKeyWQZPMBOZQFGTLR-UHFFFAOYSA-N
XLogP1.91
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 73440219) is 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is Cc1noc(C2(C)CCN(C(=O)C(C)C)CC2)n1.
What is the InChIKey of 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is WQZPMBOZQFGTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)11(17)16-7-5-13(4,6-8-16)12-14-10(3)15-18-12/h9H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 73440219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).