3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

C19H28N4O3 — CID 110099206

IUPAC3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2CC(C)OC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-12-10-15(23-11-13(2)26-18(23)25)21-16(20-12)14-6-8-22(9-7-14)17(24)19(3,4)5/h10,13-14H,6-9,11H2,1-5H3
InChIKeyLQQLQPOIGJCBQS-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.88
Rot. Bonds2

About 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 110099206) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID110099206
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2CC(C)OC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-12-10-15(23-11-13(2)26-18(23)25)21-16(20-12)14-6-8-22(9-7-14)17(24)19(3,4)5/h10,13-14H,6-9,11H2,1-5H3
InChIKeyLQQLQPOIGJCBQS-UHFFFAOYSA-N
XLogP2.88
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (CID 110099206) is 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is Cc1cc(N2CC(C)OC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is LQQLQPOIGJCBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12-10-15(23-11-13(2)26-18(23)25)21-16(20-12)14-6-8-22(9-7-14)17(24)19(3,4)5/h10,13-14H,6-9,11H2,1-5H3.
What are the key properties of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).