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

C22H26N4O2 — CID 45169307

IUPAC3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol
SMILESOC(CCc1ccccc1)C1CCN(Cc2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H26N4O2/c27-20(10-9-17-6-2-1-3-7-17)18-11-14-26(15-12-18)16-21-24-22(25-28-21)19-8-4-5-13-23-19/h1-8,13,18,20,27H,9-12,14-16H2
InChIKeyHSMNHZONCSIRHL-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.34
Rot. Bonds7

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

3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol (PubChem CID 45169307) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol
PubChem CID45169307
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol
SMILESOC(CCc1ccccc1)C1CCN(Cc2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H26N4O2/c27-20(10-9-17-6-2-1-3-7-17)18-11-14-26(15-12-18)16-21-24-22(25-28-21)19-8-4-5-13-23-19/h1-8,13,18,20,27H,9-12,14-16H2
InChIKeyHSMNHZONCSIRHL-UHFFFAOYSA-N
XLogP3.34
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol?
The IUPAC name of 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol (CID 45169307) is 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol is OC(CCc1ccccc1)C1CCN(Cc2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol?
The InChIKey is HSMNHZONCSIRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-20(10-9-17-6-2-1-3-7-17)18-11-14-26(15-12-18)16-21-24-22(25-28-21)19-8-4-5-13-23-19/h1-8,13,18,20,27H,9-12,14-16H2.
What are the key properties of 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol?
3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol has a molecular weight of 378.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 45169307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).