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

C11H17N3O2 — CID 106402142

IUPAC2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
SMILESCc1nc(CN2CCC(=O)C(C)C2C)no1
InChIInChI=1S/C11H17N3O2/c1-7-8(2)14(5-4-10(7)15)6-11-12-9(3)16-13-11/h7-8H,4-6H2,1-3H3
InChIKeyXFTRMFVMSCDIJH-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.18
Rot. Bonds2

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

2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one (PubChem CID 106402142) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
PubChem CID106402142
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
SMILESCc1nc(CN2CCC(=O)C(C)C2C)no1
InChIInChI=1S/C11H17N3O2/c1-7-8(2)14(5-4-10(7)15)6-11-12-9(3)16-13-11/h7-8H,4-6H2,1-3H3
InChIKeyXFTRMFVMSCDIJH-UHFFFAOYSA-N
XLogP1.18
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanone
CID 63846365
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409311
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 114185250
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461
3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one (CID 106402142) is 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one is Cc1nc(CN2CCC(=O)C(C)C2C)no1.
What is the InChIKey of 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one?
The InChIKey is XFTRMFVMSCDIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-8(2)14(5-4-10(7)15)6-11-12-9(3)16-13-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one?
2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 106402142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).