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

C17H24N4O4 — CID 124968428

IUPAC3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOCC(=O)N1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1
InChIInChI=1S/C17H24N4O4/c1-17(2)11-25-16(23)21(17)14-8-18-13(7-19-14)12-5-4-6-20(9-12)15(22)10-24-3/h7-8,12H,4-6,9-11H2,1-3H3/t12-/m1/s1
InChIKeyJAXDTECWKCCKAI-GFCCVEGCSA-N
MW348.40 g/mol
LogP1.56
Rot. Bonds4

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

3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 124968428) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID124968428
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOCC(=O)N1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1
InChIInChI=1S/C17H24N4O4/c1-17(2)11-25-16(23)21(17)14-8-18-13(7-19-14)12-5-4-6-20(9-12)15(22)10-24-3/h7-8,12H,4-6,9-11H2,1-3H3/t12-/m1/s1
InChIKeyJAXDTECWKCCKAI-GFCCVEGCSA-N
XLogP1.56
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124993641
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 110088774
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 95811568
3-[5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 125002135
1-[(3S)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 95806534
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 124968428) is 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is COCC(=O)N1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1.
What is the InChIKey of 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is JAXDTECWKCCKAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-17(2)11-25-16(23)21(17)14-8-18-13(7-19-14)12-5-4-6-20(9-12)15(22)10-24-3/h7-8,12H,4-6,9-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 348.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124968428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).