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

C18H23N3O3 — CID 110618119

IUPAC2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)o1
InChIInChI=1S/C18H23N3O3/c1-12-4-5-16(10-13(12)2)23-11-17(22)21-8-6-15(7-9-21)18-20-19-14(3)24-18/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyKDFDRQSMXBOQBN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.78
Rot. Bonds4

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

2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 110618119) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID110618119
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)o1
InChIInChI=1S/C18H23N3O3/c1-12-4-5-16(10-13(12)2)23-11-17(22)21-8-6-15(7-9-21)18-20-19-14(3)24-18/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyKDFDRQSMXBOQBN-UHFFFAOYSA-N
XLogP2.78
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110423701
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 136527045
2-(3,4-dimethylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110308169
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
1-[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 146137650
2-(3,4-dimethylphenoxy)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546629
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108568804
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 110618119) is 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is Cc1nnc(C2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)o1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is KDFDRQSMXBOQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-4-5-16(10-13(12)2)23-11-17(22)21-8-6-15(7-9-21)18-20-19-14(3)24-18/h4-5,10,15H,6-9,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110618119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).