[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone

C26H30N4O5 — CID 127031354

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCOCC5)cc4)CC3)o2)cc1
InChIInChI=1S/C26H30N4O5/c1-32-21-8-4-20(5-9-21)24-27-28-25(35-24)26(31)30-12-10-23(11-13-30)34-22-6-2-19(3-7-22)18-29-14-16-33-17-15-29/h2-9,23H,10-18H2,1H3
InChIKeyXAIXQGFIYLMGHF-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.26
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 127031354) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID127031354
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCOCC5)cc4)CC3)o2)cc1
InChIInChI=1S/C26H30N4O5/c1-32-21-8-4-20(5-9-21)24-27-28-25(35-24)26(31)30-12-10-23(11-13-30)34-22-6-2-19(3-7-22)18-29-14-16-33-17-15-29/h2-9,23H,10-18H2,1H3
InChIKeyXAIXQGFIYLMGHF-UHFFFAOYSA-N
XLogP3.26
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone (CID 127031354) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCOCC5)cc4)CC3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is XAIXQGFIYLMGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-32-21-8-4-20(5-9-21)24-27-28-25(35-24)26(31)30-12-10-23(11-13-30)34-22-6-2-19(3-7-22)18-29-14-16-33-17-15-29/h2-9,23H,10-18H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 478.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 127031354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).