3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one

C17H24N4O3 — CID 110099044

IUPAC3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCCC(c2cncc(N3CCOC3=O)n2)C1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)15(22)20-6-4-5-12(11-20)13-9-18-10-14(19-13)21-7-8-24-16(21)23/h9-10,12H,4-8,11H2,1-3H3
InChIKeyXMAGSLWOFMBRJC-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.19
Rot. Bonds2

About 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one

3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110099044) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110099044
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCCC(c2cncc(N3CCOC3=O)n2)C1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)15(22)20-6-4-5-12(11-20)13-9-18-10-14(19-13)21-7-8-24-16(21)23/h9-10,12H,4-8,11H2,1-3H3
InChIKeyXMAGSLWOFMBRJC-UHFFFAOYSA-N
XLogP2.19
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110099044) is 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is CC(C)(C)C(=O)N1CCCC(c2cncc(N3CCOC3=O)n2)C1.
What is the InChIKey of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is XMAGSLWOFMBRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)15(22)20-6-4-5-12(11-20)13-9-18-10-14(19-13)21-7-8-24-16(21)23/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).