1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone

C18H23N3O3 — CID 126770521

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
SMILESCCCOc1cccc(CC(=O)N2CCCCC2c2ncon2)c1
InChIInChI=1S/C18H23N3O3/c1-2-10-23-15-7-5-6-14(11-15)12-17(22)21-9-4-3-8-16(21)18-19-13-24-20-18/h5-7,11,13,16H,2-4,8-10,12H2,1H3
InChIKeyIAEXALIYTISKDI-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone

1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone (PubChem CID 126770521) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
PubChem CID126770521
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
SMILESCCCOc1cccc(CC(=O)N2CCCCC2c2ncon2)c1
InChIInChI=1S/C18H23N3O3/c1-2-10-23-15-7-5-6-14(11-15)12-17(22)21-9-4-3-8-16(21)18-19-13-24-20-18/h5-7,11,13,16H,2-4,8-10,12H2,1H3
InChIKeyIAEXALIYTISKDI-UHFFFAOYSA-N
XLogP3.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 136521396
2-[3-(2-aminoethoxy)phenyl]-1-[2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 118765592
2-(2-methoxy-5-methylphenyl)-1-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136534988
2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891852
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816
2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95770097
2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 118785471
2-(3-methoxyphenyl)-1-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125022669
2-(3-methoxyphenyl)-1-[(2R)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97346073
[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 126766315
2-(1-methylcyclohexyl)-1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 127649525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone (CID 126770521) is 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone is CCCOc1cccc(CC(=O)N2CCCCC2c2ncon2)c1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone?
The InChIKey is IAEXALIYTISKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-10-23-15-7-5-6-14(11-15)12-17(22)21-9-4-3-8-16(21)18-19-13-24-20-18/h5-7,11,13,16H,2-4,8-10,12H2,1H3.
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone?
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone is sourced from PubChem (CID 126770521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).