1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid

C18H22N4O8 — CID 71780727

IUPAC1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESCOc1nn(C)cc1C(=O)N1CCN(CC(=O)c2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N4O4.C2H2O4/c1-18-10-12(15(17-18)23-2)16(22)20-7-5-19(6-8-20)11-13(21)14-4-3-9-24-14;3-1(4)2(5)6/h3-4,9-10H,5-8,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVWFHGBNARHAXRU-UHFFFAOYSA-N
MW422.39 g/mol
LogP-0.18
Rot. Bonds5

About 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid

1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid (PubChem CID 71780727) has the molecular formula C18H22N4O8 and a molecular weight of 422.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid
PubChem CID71780727
Molecular FormulaC18H22N4O8
Molecular Weight422.39 g/mol
Exact Mass422.14
IUPAC Name1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESCOc1nn(C)cc1C(=O)N1CCN(CC(=O)c2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N4O4.C2H2O4/c1-18-10-12(15(17-18)23-2)16(22)20-7-5-19(6-8-20)11-13(21)14-4-3-9-24-14;3-1(4)2(5)6/h3-4,9-10H,5-8,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVWFHGBNARHAXRU-UHFFFAOYSA-N
XLogP-0.18
TPSA155.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780728
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71783270
2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780737
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
2-[4-(2,1,3-benzothiadiazole-5-carbonyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780710
N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 56765082
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid
CID 121077548
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780708

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The IUPAC name of 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid (CID 71780727) is 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The canonical SMILES for 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid is COc1nn(C)cc1C(=O)N1CCN(CC(=O)c2ccco2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The InChIKey is VWFHGBNARHAXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4.C2H2O4/c1-18-10-12(15(17-18)23-2)16(22)20-7-5-19(6-8-20)11-13(21)14-4-3-9-24-14;3-1(4)2(5)6/h3-4,9-10H,5-8,11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid has a molecular weight of 422.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid is sourced from PubChem (CID 71780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).