3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one

C15H20N4O3 — CID 110096516

IUPAC3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cncc(N3CCOC3=O)n2)CC1
InChIInChI=1S/C15H20N4O3/c1-11(20)18-4-2-12(3-5-18)8-13-9-16-10-14(17-13)19-6-7-22-15(19)21/h9-10,12H,2-8H2,1H3
InChIKeyMJRMOZSMQLJJOY-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.23
Rot. Bonds3

About 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one

3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110096516) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110096516
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cncc(N3CCOC3=O)n2)CC1
InChIInChI=1S/C15H20N4O3/c1-11(20)18-4-2-12(3-5-18)8-13-9-16-10-14(17-13)19-6-7-22-15(19)21/h9-10,12H,2-8H2,1H3
InChIKeyMJRMOZSMQLJJOY-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110096516) is 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one is CC(=O)N1CCC(Cc2cncc(N3CCOC3=O)n2)CC1.
What is the InChIKey of 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is MJRMOZSMQLJJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11(20)18-4-2-12(3-5-18)8-13-9-16-10-14(17-13)19-6-7-22-15(19)21/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110096516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).