(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid

C15H20N2O7 — CID 24747091

IUPAC(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C13H18N2O3.C2H2O4/c1-17-10-4-3-5-11(18-2)12(10)13(16)15-8-6-14-7-9-15;3-1(4)2(5)6/h3-5,14H,6-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeySQLLFQRAENVSOZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP-0.10
Rot. Bonds3

About (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid

(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid (PubChem CID 24747091) has the molecular formula C15H20N2O7 and a molecular weight of 340.33 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid
PubChem CID24747091
Molecular FormulaC15H20N2O7
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Name(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C13H18N2O3.C2H2O4/c1-17-10-4-3-5-11(18-2)12(10)13(16)15-8-6-14-7-9-15;3-1(4)2(5)6/h3-5,14H,6-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeySQLLFQRAENVSOZ-UHFFFAOYSA-N
XLogP-0.10
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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 (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid?
The IUPAC name of (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid (CID 24747091) is (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid.
What is the SMILES notation for (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid?
The canonical SMILES for (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid is COc1cccc(OC)c1C(=O)N1CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid?
The InChIKey is SQLLFQRAENVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.C2H2O4/c1-17-10-4-3-5-11(18-2)12(10)13(16)15-8-6-14-7-9-15;3-1(4)2(5)6/h3-5,14H,6-9H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid?
(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid has a molecular weight of 340.33 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone;oxalic acid is sourced from PubChem (CID 24747091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).