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

C21H27N3O4 — CID 91918929

IUPAC(4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(Cc3nc(C4CCOCC4)no3)C2)cc1
InChIInChI=1S/C21H27N3O4/c1-26-18-6-4-17(5-7-18)21(25)24-10-2-3-15(14-24)13-19-22-20(23-28-19)16-8-11-27-12-9-16/h4-7,15-16H,2-3,8-14H2,1H3
InChIKeyYPRTYIHQKZXSLG-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.07
Rot. Bonds5

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

(4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91918929) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID91918929
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(Cc3nc(C4CCOCC4)no3)C2)cc1
InChIInChI=1S/C21H27N3O4/c1-26-18-6-4-17(5-7-18)21(25)24-10-2-3-15(14-24)13-19-22-20(23-28-19)16-8-11-27-12-9-16/h4-7,15-16H,2-3,8-14H2,1H3
InChIKeyYPRTYIHQKZXSLG-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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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 91918929) is (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(Cc3nc(C4CCOCC4)no3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is YPRTYIHQKZXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-18-6-4-17(5-7-18)21(25)24-10-2-3-15(14-24)13-19-22-20(23-28-19)16-8-11-27-12-9-16/h4-7,15-16H,2-3,8-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(4-methoxyphenyl)-[3-[[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)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).