[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone

C25H29N5O4 — CID 127033673

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)nc4)CC3)o2)cc1
InChIInChI=1S/C25H29N5O4/c1-32-20-7-4-18(5-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-6-19(26-16-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3
InChIKeyWMIIORUTVBCZSD-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.42
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 127033673) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID127033673
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)nc4)CC3)o2)cc1
InChIInChI=1S/C25H29N5O4/c1-32-20-7-4-18(5-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-6-19(26-16-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3
InChIKeyWMIIORUTVBCZSD-UHFFFAOYSA-N
XLogP3.42
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.42
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-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone (CID 127033673) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)nc4)CC3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is WMIIORUTVBCZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-32-20-7-4-18(5-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-6-19(26-16-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 463.54 g/mol, XLogP of 3.42, 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-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 127033673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).