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

C20H27N3O3 — CID 169284639

IUPAC2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-14(2)20-21-18(26-22-20)12-16-8-10-23(11-9-16)19(24)13-15-4-6-17(25-3)7-5-15/h4-7,14,16H,8-13H2,1-3H3
InChIKeyOHKZAFNOEPMBTF-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.23
Rot. Bonds6

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

2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 169284639) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
PubChem CID169284639
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-14(2)20-21-18(26-22-20)12-16-8-10-23(11-9-16)19(24)13-15-4-6-17(25-3)7-5-15/h4-7,14,16H,8-13H2,1-3H3
InChIKeyOHKZAFNOEPMBTF-UHFFFAOYSA-N
XLogP3.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 175667258
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91888761
2-(4-methoxyphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121098540
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
(6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 166240010
2-(4-methoxyphenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91916671
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-(4-benzylpiperidin-1-yl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238340
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
2-(3,4-dimethoxyphenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 91927487
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 169284639) is 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is OHKZAFNOEPMBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)20-21-18(26-22-20)12-16-8-10-23(11-9-16)19(24)13-15-4-6-17(25-3)7-5-15/h4-7,14,16H,8-13H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 357.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 169284639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).