furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid

C17H19N3O6 — CID 11948890

IUPACfuran-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccco1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H17N3O2.C2H2O4/c19-15(14-4-2-10-20-14)18-8-6-17(7-9-18)12-13-3-1-5-16-11-13;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)
InChIKeyBMTSUORWDIFFMH-UHFFFAOYSA-N
MW361.35 g/mol
LogP0.79
Rot. Bonds3

About furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid

furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid (PubChem CID 11948890) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid.

Molecular Properties

Compound Namefuran-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
PubChem CID11948890
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Namefuran-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccco1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H17N3O2.C2H2O4/c19-15(14-4-2-10-20-14)18-8-6-17(7-9-18)12-13-3-1-5-16-11-13;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)
InChIKeyBMTSUORWDIFFMH-UHFFFAOYSA-N
XLogP0.79
TPSA124.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
The IUPAC name of furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid (CID 11948890) is furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid.
What is the SMILES notation for furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
The canonical SMILES for furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid is O=C(O)C(=O)O.O=C(c1ccco1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
The InChIKey is BMTSUORWDIFFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.C2H2O4/c19-15(14-4-2-10-20-14)18-8-6-17(7-9-18)12-13-3-1-5-16-11-13;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6).
What are the key properties of furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid has a molecular weight of 361.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid is sourced from PubChem (CID 11948890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).