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

C13H16N4O2 — CID 56769826

IUPAC1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
SMILESCc1noc(-c2ccc(N3CCC(O)CC3)nc2)n1
InChIInChI=1S/C13H16N4O2/c1-9-15-13(19-16-9)10-2-3-12(14-8-10)17-6-4-11(18)5-7-17/h2-3,8,11,18H,4-7H2,1H3
InChIKeyVFWUKGFGZVUMFF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.40
Rot. Bonds2

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

1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol (PubChem CID 56769826) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
PubChem CID56769826
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
SMILESCc1noc(-c2ccc(N3CCC(O)CC3)nc2)n1
InChIInChI=1S/C13H16N4O2/c1-9-15-13(19-16-9)10-2-3-12(14-8-10)17-6-4-11(18)5-7-17/h2-3,8,11,18H,4-7H2,1H3
InChIKeyVFWUKGFGZVUMFF-UHFFFAOYSA-N
XLogP1.40
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol (CID 56769826) is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol is Cc1noc(-c2ccc(N3CCC(O)CC3)nc2)n1.
What is the InChIKey of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is VFWUKGFGZVUMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-15-13(19-16-9)10-2-3-12(14-8-10)17-6-4-11(18)5-7-17/h2-3,8,11,18H,4-7H2,1H3.
What are the key properties of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol?
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 260.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 56769826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).