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

C21H27N3O4 — CID 91908109

IUPAC(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-26-18-4-2-17(3-5-18)21(25)24-10-6-15(7-11-24)14-19-22-20(23-28-19)16-8-12-27-13-9-16/h2-5,15-16H,6-14H2,1H3
InChIKeyXHDIAZLFDGXNBO-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.07
Rot. Bonds5

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

(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91908109) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID91908109
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-26-18-4-2-17(3-5-18)21(25)24-10-6-15(7-11-24)14-19-22-20(23-28-19)16-8-12-27-13-9-16/h2-5,15-16H,6-14H2,1H3
InChIKeyXHDIAZLFDGXNBO-UHFFFAOYSA-N
XLogP3.07
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91908114
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
3-cyclopentyl-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-1-one
CID 91918900
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 91906458
(4-fluorophenyl)-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91906465
(6-methoxy-3-pyridinyl)-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918773
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 90641486
N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 138030802
(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918934
[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91908029
2-(4-methoxyphenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91916671

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 91908109) is (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is XHDIAZLFDGXNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-18-4-2-17(3-5-18)21(25)24-10-6-15(7-11-24)14-19-22-20(23-28-19)16-8-12-27-13-9-16/h2-5,15-16H,6-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 385.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91908109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).