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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Related Compounds

2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
4-(2-Furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909386
5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 903714
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129
N-ethyl-5-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 6468617
2-[1-[(5-Methyl-2-furyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 16189959
N-[1-(2-phenylethyl)piperidin-4-yl]-N-(pyridin-3-yl)furan-2-carboxamide
CID 9885961
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-2-yl-methanone
CID 42606459
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 645184
N-(5-Methyl-furan-2-ylmethyl)-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-3-ylmethyl-acetamide
CID 645760
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-phenethyl-carbamoyl]-methyl}-amide
CID 650641
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-phenyl-carbamoyl]-methyl}-amide
CID 654585

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).