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

C18H26N4O3 — CID 124995225

IUPAC(5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)cn2)C(=O)O1
InChIInChI=1S/C18H26N4O3/c1-12-11-22(17(24)25-12)15-10-19-14(9-20-15)13-5-7-21(8-6-13)16(23)18(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3/t12-/m1/s1
InChIKeyQKNFUGDBBACSBQ-GFCCVEGCSA-N
MW346.43 g/mol
LogP2.57
Rot. Bonds2

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

(5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 124995225) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID124995225
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)cn2)C(=O)O1
InChIInChI=1S/C18H26N4O3/c1-12-11-22(17(24)25-12)15-10-19-14(9-20-15)13-5-7-21(8-6-13)16(23)18(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3/t12-/m1/s1
InChIKeyQKNFUGDBBACSBQ-GFCCVEGCSA-N
XLogP2.57
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one (CID 124995225) is (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)cn2)C(=O)O1.
What is the InChIKey of (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is QKNFUGDBBACSBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-11-22(17(24)25-12)15-10-19-14(9-20-15)13-5-7-21(8-6-13)16(23)18(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124995225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).