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

C16H21N5O2 — CID 90642159

IUPAC1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C16H21N5O2/c1-2-4-15(22)21-8-3-5-12(11-21)9-14-19-16(20-23-14)13-10-17-6-7-18-13/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyVNSCSTYWAIMACU-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.11
Rot. Bonds5

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

1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 90642159) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID90642159
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C16H21N5O2/c1-2-4-15(22)21-8-3-5-12(11-21)9-14-19-16(20-23-14)13-10-17-6-7-18-13/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyVNSCSTYWAIMACU-UHFFFAOYSA-N
XLogP2.11
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one (CID 90642159) is 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is VNSCSTYWAIMACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-4-15(22)21-8-3-5-12(11-21)9-14-19-16(20-23-14)13-10-17-6-7-18-13/h6-7,10,12H,2-5,8-9,11H2,1H3.
What are the key properties of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 315.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 90642159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).