3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one

C24H24N6O2 — CID 91908535

IUPAC3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C24H24N6O2/c31-22(14-13-18-8-3-1-4-9-18)29-15-7-12-20(16-29)30-17-21(26-28-30)24-25-23(27-32-24)19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16H2
InChIKeyGGRWJALIMXNGTK-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.79
Rot. Bonds6

About 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one

3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 91908535) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID91908535
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C24H24N6O2/c31-22(14-13-18-8-3-1-4-9-18)29-15-7-12-20(16-29)30-17-21(26-28-30)24-25-23(27-32-24)19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16H2
InChIKeyGGRWJALIMXNGTK-UHFFFAOYSA-N
XLogP3.79
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one (CID 91908535) is 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1.
What is the InChIKey of 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GGRWJALIMXNGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-22(14-13-18-8-3-1-4-9-18)29-15-7-12-20(16-29)30-17-21(26-28-30)24-25-23(27-32-24)19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16H2.
What are the key properties of 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one?
3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 428.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91908535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).