methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate

C13H17N3O3 — CID 78919443

IUPACmethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C13H17N3O3/c1-9-6-15-11(7-14-9)12(17)16-5-3-4-10(8-16)13(18)19-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyKRSDNMAQPYHQPI-JTQLQIEISA-N
MW263.30 g/mol
LogP0.81
Rot. Bonds2

About methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 78919443) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
PubChem CID78919443
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C13H17N3O3/c1-9-6-15-11(7-14-9)12(17)16-5-3-4-10(8-16)13(18)19-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyKRSDNMAQPYHQPI-JTQLQIEISA-N
XLogP0.81
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate (CID 78919443) is methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1.
What is the InChIKey of methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is KRSDNMAQPYHQPI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-6-15-11(7-14-9)12(17)16-5-3-4-10(8-16)13(18)19-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).