1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid

C26H24N2O8 — CID 71780739

IUPAC1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESO=C(CN1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)c1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C24H22N2O4.C2H2O4/c27-19(22-10-5-15-29-22)16-25-11-13-26(14-12-25)24(28)23-17-6-1-3-8-20(17)30-21-9-4-2-7-18(21)23;3-1(4)2(5)6/h1-10,15,23H,11-14,16H2;(H,3,4)(H,5,6)
InChIKeyMFEPZEYOEZTZLF-UHFFFAOYSA-N
MW492.48 g/mol
LogP2.70
Rot. Bonds4

About 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid

1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid (PubChem CID 71780739) has the molecular formula C26H24N2O8 and a molecular weight of 492.48 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid
PubChem CID71780739
Molecular FormulaC26H24N2O8
Molecular Weight492.48 g/mol
Exact Mass492.15
IUPAC Name1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESO=C(CN1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)c1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C24H22N2O4.C2H2O4/c27-19(22-10-5-15-29-22)16-25-11-13-26(14-12-25)24(28)23-17-6-1-3-8-20(17)30-21-9-4-2-7-18(21)23;3-1(4)2(5)6/h1-10,15,23H,11-14,16H2;(H,3,4)(H,5,6)
InChIKeyMFEPZEYOEZTZLF-UHFFFAOYSA-N
XLogP2.70
TPSA137.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780737
4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid
CID 121077548
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780728
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
(4-methyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 17164721
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
2-[4-(2,1,3-benzothiadiazole-5-carbonyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780710
methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
CID 1147765

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The IUPAC name of 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid (CID 71780739) is 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The canonical SMILES for 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid is O=C(CN1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)c1ccco1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The InChIKey is MFEPZEYOEZTZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4.C2H2O4/c27-19(22-10-5-15-29-22)16-25-11-13-26(14-12-25)24(28)23-17-6-1-3-8-20(17)30-21-9-4-2-7-18(21)23;3-1(4)2(5)6/h1-10,15,23H,11-14,16H2;(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid has a molecular weight of 492.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid is sourced from PubChem (CID 71780739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).