tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H32N4O2 — CID 103397975

IUPACtert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(CNC1=NCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1
InChIInChI=1S/C17H32N4O2/c1-14(20-9-6-5-7-10-20)12-19-15-13-21(11-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyXPANORZQQZEEND-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397975) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397975
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(CNC1=NCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1
InChIInChI=1S/C17H32N4O2/c1-14(20-9-6-5-7-10-20)12-19-15-13-21(11-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyXPANORZQQZEEND-UHFFFAOYSA-N
XLogP2.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[1-[C-(1-amino-1-fluoroethyl)-N-ethylcarbonimidoyl]piperidin-4-yl]carbamate
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tert-butyl 4-[C-methyl-N-[N'-(1-methylpiperidin-4-yl)-N-(1,1,1-trifluoropropan-2-yl)carbamimidoyl]carbonimidoyl]piperazine-1-carboxylate
CID 173815058
tert-butyl 4-[[C-(dicyanomethyl)-N-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonimidoyl]amino]piperidine-1-carboxylate
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Tert-butyl 4-[(6-bromo-4-ethanimidoyl-3-iminopyrazin-2-yl)amino]piperidine-1-carboxylate
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diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium
CID 135979670
Diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium
CID 136054068
tert-butyl (3S)-3-[(5-ethyl-1-methyl-4,5-dihydroimidazol-2-yl)amino]piperidine-1-carboxylate
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tert-butyl (3R)-3-[(N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397975) is tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(CNC1=NCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1.
What is the InChIKey of tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is XPANORZQQZEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14(20-9-6-5-7-10-20)12-19-15-13-21(11-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).