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

C26H30N4O4 — CID 127031621

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)cc4)CC3)o2)cc1
InChIInChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3
InChIKeyVISZXWKIWZTHGH-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.02
Rot. Bonds7

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

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 127031621) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID127031621
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)cc4)CC3)o2)cc1
InChIInChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3
InChIKeyVISZXWKIWZTHGH-UHFFFAOYSA-N
XLogP4.02
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone (CID 127031621) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)cc4)CC3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is VISZXWKIWZTHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 462.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 127031621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).