2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid

C16H22N2O7 — CID 17365802

IUPAC2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid
SMILESCOc1cccc(OC)c1C(=O)NN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O3.C2H2O4/c1-18-11-7-6-8-12(19-2)13(11)14(17)15-16-9-4-3-5-10-16;3-1(4)2(5)6/h6-8H,3-5,9-10H2,1-2H3,(H,15,17);(H,3,4)(H,5,6)
InChIKeyHXSGZPAHWREELZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP0.99
Rot. Bonds4

About 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid

2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid (PubChem CID 17365802) has the molecular formula C16H22N2O7 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid.

Molecular Properties

Compound Name2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid
PubChem CID17365802
Molecular FormulaC16H22N2O7
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC Name2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid
SMILESCOc1cccc(OC)c1C(=O)NN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O3.C2H2O4/c1-18-11-7-6-8-12(19-2)13(11)14(17)15-16-9-4-3-5-10-16;3-1(4)2(5)6/h6-8H,3-5,9-10H2,1-2H3,(H,15,17);(H,3,4)(H,5,6)
InChIKeyHXSGZPAHWREELZ-UHFFFAOYSA-N
XLogP0.99
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 50.99
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-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid?
The IUPAC name of 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid (CID 17365802) is 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid.
What is the SMILES notation for 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid?
The canonical SMILES for 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid is COc1cccc(OC)c1C(=O)NN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid?
The InChIKey is HXSGZPAHWREELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.C2H2O4/c1-18-11-7-6-8-12(19-2)13(11)14(17)15-16-9-4-3-5-10-16;3-1(4)2(5)6/h6-8H,3-5,9-10H2,1-2H3,(H,15,17);(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid?
2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid has a molecular weight of 354.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid is sourced from PubChem (CID 17365802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).