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

C16H22N4O3 — CID 110099031

IUPAC3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cnc(N3C(=O)OCC3C)cn2)CC1
InChIInChI=1S/C16H22N4O3/c1-11-10-23-16(22)20(11)15-9-17-14(8-18-15)7-13-3-5-19(6-4-13)12(2)21/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyITELLMDTCBEDPR-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.62
Rot. Bonds3

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

3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 110099031) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID110099031
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cnc(N3C(=O)OCC3C)cn2)CC1
InChIInChI=1S/C16H22N4O3/c1-11-10-23-16(22)20(11)15-9-17-14(8-18-15)7-13-3-5-19(6-4-13)12(2)21/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyITELLMDTCBEDPR-UHFFFAOYSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 110099031) is 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one is CC(=O)N1CCC(Cc2cnc(N3C(=O)OCC3C)cn2)CC1.
What is the InChIKey of 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is ITELLMDTCBEDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-10-23-16(22)20(11)15-9-17-14(8-18-15)7-13-3-5-19(6-4-13)12(2)21/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 318.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).