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

C22H22ClN3O3 — CID 86889096

IUPAC2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C22H22ClN3O3/c1-15(28-19-9-7-18(23)8-10-19)22(27)26-13-11-17(12-14-26)21-24-20(25-29-21)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3
InChIKeyQPUOHJUOLLHHMZ-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.56
Rot. Bonds5

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

2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 86889096) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID86889096
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C22H22ClN3O3/c1-15(28-19-9-7-18(23)8-10-19)22(27)26-13-11-17(12-14-26)21-24-20(25-29-21)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3
InChIKeyQPUOHJUOLLHHMZ-UHFFFAOYSA-N
XLogP4.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91946318
N-[4-[5-[1-[(2R)-2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93072631
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 5042134
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 42760384
N-[(2R)-1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 95063527
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
(2R)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 51984851
(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 51984852
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 46412874
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 86889096) is 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is QPUOHJUOLLHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-15(28-19-9-7-18(23)8-10-19)22(27)26-13-11-17(12-14-26)21-24-20(25-29-21)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 411.89 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86889096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).