2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone

C20H20ClN5O2 — CID 175667260

IUPAC2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(Cc2nc(-c3cnccn3)no2)CC1
InChIInChI=1S/C20H20ClN5O2/c21-16-4-2-1-3-15(16)12-19(27)26-9-5-14(6-10-26)11-18-24-20(25-28-18)17-13-22-7-8-23-17/h1-4,7-8,13-14H,5-6,9-12H2
InChIKeyIHLOPRCQCVYZPG-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 175667260) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
PubChem CID175667260
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(Cc2nc(-c3cnccn3)no2)CC1
InChIInChI=1S/C20H20ClN5O2/c21-16-4-2-1-3-15(16)12-19(27)26-9-5-14(6-10-26)11-18-24-20(25-28-18)17-13-22-7-8-23-17/h1-4,7-8,13-14H,5-6,9-12H2
InChIKeyIHLOPRCQCVYZPG-UHFFFAOYSA-N
XLogP3.20
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 175667260) is 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCC(Cc2nc(-c3cnccn3)no2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is IHLOPRCQCVYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-16-4-2-1-3-15(16)12-19(27)26-9-5-14(6-10-26)11-18-24-20(25-28-18)17-13-22-7-8-23-17/h1-4,7-8,13-14H,5-6,9-12H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 397.87 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 175667260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).