furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone

C18H17N3O4 — CID 16906914

IUPACfuran-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2n1
InChIInChI=1S/C18H17N3O4/c1-12-4-5-14-13(19-12)11-16(25-14)18(23)21-8-6-20(7-9-21)17(22)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3
InChIKeyMKOKMPXSDRMDDN-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.33
Rot. Bonds2

About furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 16906914) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID16906914
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namefuran-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2n1
InChIInChI=1S/C18H17N3O4/c1-12-4-5-14-13(19-12)11-16(25-14)18(23)21-8-6-20(7-9-21)17(22)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3
InChIKeyMKOKMPXSDRMDDN-UHFFFAOYSA-N
XLogP2.33
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 16906914) is furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone is Cc1ccc2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2n1.
What is the InChIKey of furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is MKOKMPXSDRMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-4-5-14-13(19-12)11-16(25-14)18(23)21-8-6-20(7-9-21)17(22)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 339.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16906914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).