methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate

C12H16N4O3 — CID 110821817

IUPACmethyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)16-6-2-9(3-7-16)15-11(17)10-8-13-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyAYDNAUBHPMINQU-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.44
Rot. Bonds2

About methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate

methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 110821817) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID110821817
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)16-6-2-9(3-7-16)15-11(17)10-8-13-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyAYDNAUBHPMINQU-UHFFFAOYSA-N
XLogP0.44
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557370
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557391
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557373
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557405

Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate (CID 110821817) is methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2cnccn2)CC1.
What is the InChIKey of methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is AYDNAUBHPMINQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-12(18)16-6-2-9(3-7-16)15-11(17)10-8-13-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110821817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).