2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid

C14H23N3O4 — CID 63904154

IUPAC2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
SMILESCC(C)Cc1nc(CN2CCC(OCC(=O)O)CC2)no1
InChIInChI=1S/C14H23N3O4/c1-10(2)7-13-15-12(16-21-13)8-17-5-3-11(4-6-17)20-9-14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyGTPOAYSAPDMSJL-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.33
Rot. Bonds7

About 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid

2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63904154) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
PubChem CID63904154
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
SMILESCC(C)Cc1nc(CN2CCC(OCC(=O)O)CC2)no1
InChIInChI=1S/C14H23N3O4/c1-10(2)7-13-15-12(16-21-13)8-17-5-3-11(4-6-17)20-9-14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyGTPOAYSAPDMSJL-UHFFFAOYSA-N
XLogP1.33
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid (CID 63904154) is 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid is CC(C)Cc1nc(CN2CCC(OCC(=O)O)CC2)no1.
What is the InChIKey of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is GTPOAYSAPDMSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(2)7-13-15-12(16-21-13)8-17-5-3-11(4-6-17)20-9-14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 297.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).