3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one

C13H18N4O2 — CID 110096487

IUPAC3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cncc(CC2CCNCC2)n1
InChIInChI=1S/C13H18N4O2/c18-13-17(5-6-19-13)12-9-15-8-11(16-12)7-10-1-3-14-4-2-10/h8-10,14H,1-7H2
InChIKeyZLMHGFWIZYCVGL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.98
Rot. Bonds3

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

3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110096487) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110096487
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cncc(CC2CCNCC2)n1
InChIInChI=1S/C13H18N4O2/c18-13-17(5-6-19-13)12-9-15-8-11(16-12)7-10-1-3-14-4-2-10/h8-10,14H,1-7H2
InChIKeyZLMHGFWIZYCVGL-UHFFFAOYSA-N
XLogP0.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[6-(3-aminopropyl)pyrazin-2-yl]piperazine-1-carboxylate;hydrochloride
CID 177799680
3-[6-(1-Acetylpiperidin-4-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110098954
Tert-butyl 3-[5-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 110099018
3-[6-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099051
tert-Butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate
CID 71304702
Tert-butyl 4-(5-aminopyrazin-2-yl)piperidine-1-carboxylate
CID 89740959
Tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 142165471
5-butan-2-yl-N-ethyl-N-propylpyrazin-2-amine;ethane;morpholine
CID 144824938
3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 158680137
Tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate
CID 174538935
[5-[3-(Propan-2-yloxycarbonylamino)cyclopentyl]pyrazin-2-yl]carbamic acid
CID 176008964
4-(5-Piperidin-4-ylpyrazin-2-yl)morpholine
CID 73439537

Frequently Asked Questions

What is the IUPAC name of 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110096487) is 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cncc(CC2CCNCC2)n1.
What is the InChIKey of 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZLMHGFWIZYCVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13-17(5-6-19-13)12-9-15-8-11(16-12)7-10-1-3-14-4-2-10/h8-10,14H,1-7H2.
What are the key properties of 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110096487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).