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

C14H20N4O2 — CID 110096498

IUPAC3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCN1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1
InChIInChI=1S/C14H20N4O2/c1-17-4-2-11(3-5-17)8-12-9-16-13(10-15-12)18-6-7-20-14(18)19/h9-11H,2-8H2,1H3
InChIKeyKREJMBIOBNODOG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds3

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

3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110096498) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110096498
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCN1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1
InChIInChI=1S/C14H20N4O2/c1-17-4-2-11(3-5-17)8-12-9-16-13(10-15-12)18-6-7-20-14(18)19/h9-11H,2-8H2,1H3
InChIKeyKREJMBIOBNODOG-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110096498) is 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one is CN1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1.
What is the InChIKey of 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is KREJMBIOBNODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-4-2-11(3-5-17)8-12-9-16-13(10-15-12)18-6-7-20-14(18)19/h9-11H,2-8H2,1H3.
What are the key properties of 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110096498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).