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

C20H30N4O3 — CID 110099213

IUPAC3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OCC2(C)C)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C20H30N4O3/c1-13-11-15(24-18(26)27-12-20(24,5)6)22-16(21-13)14-7-9-23(10-8-14)17(25)19(2,3)4/h11,14H,7-10,12H2,1-6H3
InChIKeyHSMQKPMYXWHQMI-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.27
Rot. Bonds2

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

3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 110099213) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID110099213
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OCC2(C)C)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C20H30N4O3/c1-13-11-15(24-18(26)27-12-20(24,5)6)22-16(21-13)14-7-9-23(10-8-14)17(25)19(2,3)4/h11,14H,7-10,12H2,1-6H3
InChIKeyHSMQKPMYXWHQMI-UHFFFAOYSA-N
XLogP3.27
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.27
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]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 110099213) is 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OCC2(C)C)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]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is HSMQKPMYXWHQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13-11-15(24-18(26)27-12-20(24,5)6)22-16(21-13)14-7-9-23(10-8-14)17(25)19(2,3)4/h11,14H,7-10,12H2,1-6H3.
What are the key properties of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 374.49 g/mol, XLogP of 3.27, 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]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).