N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid

C13H25N3O6 — CID 118742182

IUPACN-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid
SMILESCOCCNC(=O)C(C)N1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H23N3O2.C2H2O4/c1-10(11(15)12-4-9-16-3)14-7-5-13(2)6-8-14;3-1(4)2(5)6/h10H,4-9H2,1-3H3,(H,12,15);(H,3,4)(H,5,6)
InChIKeySVPUAWDKXMHYSA-UHFFFAOYSA-N
MW319.36 g/mol
LogP-1.46
Rot. Bonds5

About N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid

N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid (PubChem CID 118742182) has the molecular formula C13H25N3O6 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid
PubChem CID118742182
Molecular FormulaC13H25N3O6
Molecular Weight319.36 g/mol
Exact Mass319.17
IUPAC NameN-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid
SMILESCOCCNC(=O)C(C)N1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H23N3O2.C2H2O4/c1-10(11(15)12-4-9-16-3)14-7-5-13(2)6-8-14;3-1(4)2(5)6/h10H,4-9H2,1-3H3,(H,12,15);(H,3,4)(H,5,6)
InChIKeySVPUAWDKXMHYSA-UHFFFAOYSA-N
XLogP-1.46
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid (CID 118742182) is N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid is COCCNC(=O)C(C)N1CCN(C)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid?
The InChIKey is SVPUAWDKXMHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.C2H2O4/c1-10(11(15)12-4-9-16-3)14-7-5-13(2)6-8-14;3-1(4)2(5)6/h10H,4-9H2,1-3H3,(H,12,15);(H,3,4)(H,5,6).
What are the key properties of N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid?
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid has a molecular weight of 319.36 g/mol, XLogP of -1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide;oxalic acid is sourced from PubChem (CID 118742182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).