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

C17H23N5O2 — CID 90642163

IUPAC2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)16(23)22-8-4-5-12(11-22)9-14-20-15(21-24-14)13-10-18-6-7-19-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyXENDVTPMUOFDBI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds3

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

2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 90642163) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID90642163
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)16(23)22-8-4-5-12(11-22)9-14-20-15(21-24-14)13-10-18-6-7-19-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyXENDVTPMUOFDBI-UHFFFAOYSA-N
XLogP2.35
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one (CID 90642163) is 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is XENDVTPMUOFDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)16(23)22-8-4-5-12(11-22)9-14-20-15(21-24-14)13-10-18-6-7-19-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90642163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).