(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid

C20H24N2O8 — CID 90483280

IUPAC(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H22N2O4.C2H2O4/c1-22-15-6-3-7-16(23-2)17(15)18(21)20-10-8-19(9-11-20)13-14-5-4-12-24-14;3-1(4)2(5)6/h3-7,12H,8-11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNOCNEKYXYIGTFY-UHFFFAOYSA-N
MW420.42 g/mol
LogP1.41
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid

(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid (PubChem CID 90483280) has the molecular formula C20H24N2O8 and a molecular weight of 420.42 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
PubChem CID90483280
Molecular FormulaC20H24N2O8
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H22N2O4.C2H2O4/c1-22-15-6-3-7-16(23-2)17(15)18(21)20-10-8-19(9-11-20)13-14-5-4-12-24-14;3-1(4)2(5)6/h3-7,12H,8-11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNOCNEKYXYIGTFY-UHFFFAOYSA-N
XLogP1.41
TPSA129.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 7027549
(2,6-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366613
(3-bromo-4-methoxyphenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3549117
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46684611
[4-(furan-2-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone
CID 46536275
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone;oxalic acid
CID 52994628
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 1002548
(2,6-dimethoxyphenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 1112852
(2-chloro-6-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249437
(2,6-dimethoxyphenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366616
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid (CID 90483280) is (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid is COc1cccc(OC)c1C(=O)N1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
The InChIKey is NOCNEKYXYIGTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.C2H2O4/c1-22-15-6-3-7-16(23-2)17(15)18(21)20-10-8-19(9-11-20)13-14-5-4-12-24-14;3-1(4)2(5)6/h3-7,12H,8-11,13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid?
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid has a molecular weight of 420.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid is sourced from PubChem (CID 90483280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).