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

C15H22N4O3 — CID 108562616

IUPAC2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C15H22N4O3/c1-11(2)10-22-15(21)19-7-3-12(4-8-19)18-14(20)13-9-16-5-6-17-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyGOIPFKILWXOFSK-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.46
Rot. Bonds4

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

2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 108562616) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID108562616
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C15H22N4O3/c1-11(2)10-22-15(21)19-7-3-12(4-8-19)18-14(20)13-9-16-5-6-17-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyGOIPFKILWXOFSK-UHFFFAOYSA-N
XLogP1.46
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 108569986
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
CID 108562819
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557391

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate (CID 108562616) is 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)c2cnccn2)CC1.
What is the InChIKey of 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is GOIPFKILWXOFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(2)10-22-15(21)19-7-3-12(4-8-19)18-14(20)13-9-16-5-6-17-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate?
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108562616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).