2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

C21H32N4O6 — CID 11948731

IUPAC2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCN1CCC(N(C)CC(=O)Nc2ccccc2N2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N4O2.C2H2O4/c1-21-9-7-16(8-10-21)22(2)15-19(24)20-17-5-3-4-6-18(17)23-11-13-25-14-12-23;3-1(4)2(5)6/h3-6,16H,7-15H2,1-2H3,(H,20,24);(H,3,4)(H,5,6)
InChIKeyVMNBLENYICUDGU-UHFFFAOYSA-N
MW436.51 g/mol
LogP0.64
Rot. Bonds5

About 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (PubChem CID 11948731) has the molecular formula C21H32N4O6 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
PubChem CID11948731
Molecular FormulaC21H32N4O6
Molecular Weight436.51 g/mol
Exact Mass436.23
IUPAC Name2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCN1CCC(N(C)CC(=O)Nc2ccccc2N2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N4O2.C2H2O4/c1-21-9-7-16(8-10-21)22(2)15-19(24)20-17-5-3-4-6-18(17)23-11-13-25-14-12-23;3-1(4)2(5)6/h3-6,16H,7-15H2,1-2H3,(H,20,24);(H,3,4)(H,5,6)
InChIKeyVMNBLENYICUDGU-UHFFFAOYSA-N
XLogP0.64
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (CID 11948731) is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is CN1CCC(N(C)CC(=O)Nc2ccccc2N2CCOCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The InChIKey is VMNBLENYICUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.C2H2O4/c1-21-9-7-16(8-10-21)22(2)15-19(24)20-17-5-3-4-6-18(17)23-11-13-25-14-12-23;3-1(4)2(5)6/h3-6,16H,7-15H2,1-2H3,(H,20,24);(H,3,4)(H,5,6).
What are the key properties of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid has a molecular weight of 436.51 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 11948731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).