methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate

C12H15N3O4 — CID 78919695

IUPACmethyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)8-3-2-4-15(7-8)11(17)9-5-14-10(16)6-13-9/h5-6,8H,2-4,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyDOYXFOFTINFISX-QMMMGPOBSA-N
MW265.27 g/mol
LogP-0.20
Rot. Bonds2

About methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 78919695) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate
PubChem CID78919695
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)8-3-2-4-15(7-8)11(17)9-5-14-10(16)6-13-9/h5-6,8H,2-4,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyDOYXFOFTINFISX-QMMMGPOBSA-N
XLogP-0.20
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate (CID 78919695) is methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is DOYXFOFTINFISX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-12(18)8-3-2-4-15(7-8)11(17)9-5-14-10(16)6-13-9/h5-6,8H,2-4,7H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 265.27 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).