tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate

C16H24N4O3 — CID 95376646

IUPACtert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cnccn1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20-9-5-4-6-12(20)10-19-14(21)13-11-17-7-8-18-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyTVGRFVFLZROAJN-LBPRGKRZSA-N
MW320.39 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 95376646) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID95376646
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nametert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cnccn1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20-9-5-4-6-12(20)10-19-14(21)13-11-17-7-8-18-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyTVGRFVFLZROAJN-LBPRGKRZSA-N
XLogP2.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172702
tert-butyl (2R)-2-[(pyrazin-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172794
tert-butyl (2S)-2-(pyrazin-2-ylsulfanylmethyl)piperidine-1-carboxylate
CID 97031777
tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175736
tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate
CID 97173227
tert-butyl (2S)-2-[(pyridin-3-ylamino)methyl]pyrrolidine-1-carboxylate
CID 10564494
tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 86848385
tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 47442439
tert-butyl 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 106634517
tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 106634508
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239
tert-butyl 2-[[methyl(pyrazin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647694

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate (CID 95376646) is tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cnccn1.
What is the InChIKey of tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is TVGRFVFLZROAJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20-9-5-4-6-12(20)10-19-14(21)13-11-17-7-8-18-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 95376646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).