3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C21H32N4O3 — CID 110099182

IUPAC3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc(N2C(=O)OCC2C(C)C)n1
InChIInChI=1S/C21H32N4O3/c1-13(2)17-12-28-20(27)25(17)18-11-16(22-14(3)23-18)15-7-9-24(10-8-15)19(26)21(4,5)6/h11,13,15,17H,7-10,12H2,1-6H3
InChIKeyIRWMRYYECHOBED-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.52
Rot. Bonds3

About 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 110099182) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID110099182
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc(N2C(=O)OCC2C(C)C)n1
InChIInChI=1S/C21H32N4O3/c1-13(2)17-12-28-20(27)25(17)18-11-16(22-14(3)23-18)15-7-9-24(10-8-15)19(26)21(4,5)6/h11,13,15,17H,7-10,12H2,1-6H3
InChIKeyIRWMRYYECHOBED-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.52
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-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 110099182) is 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc(N2C(=O)OCC2C(C)C)n1.
What is the InChIKey of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is IRWMRYYECHOBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-13(2)17-12-28-20(27)25(17)18-11-16(22-14(3)23-18)15-7-9-24(10-8-15)19(26)21(4,5)6/h11,13,15,17H,7-10,12H2,1-6H3.
What are the key properties of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 388.51 g/mol, XLogP of 3.52, 3 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-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).