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

C17H32N4O2 — CID 103398042

IUPACtert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(CN1CCCCC1)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N4O2/c1-14(12-20-9-6-5-7-10-20)19-15-13-21(11-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyITWOGIITLCEYEZ-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds3

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

tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398042) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398042
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(CN1CCCCC1)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N4O2/c1-14(12-20-9-6-5-7-10-20)19-15-13-21(11-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyITWOGIITLCEYEZ-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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diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium
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Diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398042) is tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(CN1CCCCC1)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is ITWOGIITLCEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14(12-20-9-6-5-7-10-20)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-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(1-piperidin-1-ylpropan-2-ylamino)-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-(1-piperidin-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).