3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol

C13H24N4O2 — CID 106965217

IUPAC3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
SMILESCCCNC(C)c1nnc(N2CCCC(C)(O)C2)o1
InChIInChI=1S/C13H24N4O2/c1-4-7-14-10(2)11-15-16-12(19-11)17-8-5-6-13(3,18)9-17/h10,14,18H,4-9H2,1-3H3
InChIKeyXBEMJFDEKXGOKH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.48
Rot. Bonds5

About 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol

3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol (PubChem CID 106965217) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
PubChem CID106965217
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
SMILESCCCNC(C)c1nnc(N2CCCC(C)(O)C2)o1
InChIInChI=1S/C13H24N4O2/c1-4-7-14-10(2)11-15-16-12(19-11)17-8-5-6-13(3,18)9-17/h10,14,18H,4-9H2,1-3H3
InChIKeyXBEMJFDEKXGOKH-UHFFFAOYSA-N
XLogP1.48
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol (CID 106965217) is 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol is CCCNC(C)c1nnc(N2CCCC(C)(O)C2)o1.
What is the InChIKey of 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The InChIKey is XBEMJFDEKXGOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-7-14-10(2)11-15-16-12(19-11)17-8-5-6-13(3,18)9-17/h10,14,18H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol has a molecular weight of 268.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 106965217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).