furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone

C17H22N4O2 — CID 44582763

IUPACfuran-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(C)c(CN2CCN(C(=O)c3ccco3)CC2)nc1C
InChIInChI=1S/C17H22N4O2/c1-12-13(2)19-15(14(3)18-12)11-20-6-8-21(9-7-20)17(22)16-5-4-10-23-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyKEZNGBRBTLEXCK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.95
Rot. Bonds3

About furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 44582763) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID44582763
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namefuran-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(C)c(CN2CCN(C(=O)c3ccco3)CC2)nc1C
InChIInChI=1S/C17H22N4O2/c1-12-13(2)19-15(14(3)18-12)11-20-6-8-21(9-7-20)17(22)16-5-4-10-23-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyKEZNGBRBTLEXCK-UHFFFAOYSA-N
XLogP1.95
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 171997967
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furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
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furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19333939
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CID 82131455
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
(2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582810
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8932617
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone (CID 44582763) is furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone is Cc1nc(C)c(CN2CCN(C(=O)c3ccco3)CC2)nc1C.
What is the InChIKey of furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is KEZNGBRBTLEXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-13(2)19-15(14(3)18-12)11-20-6-8-21(9-7-20)17(22)16-5-4-10-23-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44582763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).