3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid

C16H28N2O6 — CID 2911880

IUPAC3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid
SMILESCC(C)CC(=O)N1CCC(N2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2O2.C2H2O4/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15;3-1(4)2(5)6/h12-13H,3-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIFOKXBZCSVKYQB-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.51
Rot. Bonds3

About 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid

3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid (PubChem CID 2911880) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid.

Molecular Properties

Compound Name3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid
PubChem CID2911880
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Name3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid
SMILESCC(C)CC(=O)N1CCC(N2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2O2.C2H2O4/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15;3-1(4)2(5)6/h12-13H,3-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIFOKXBZCSVKYQB-UHFFFAOYSA-N
XLogP0.51
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid?
The IUPAC name of 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid (CID 2911880) is 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid.
What is the SMILES notation for 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid?
The canonical SMILES for 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid is CC(C)CC(=O)N1CCC(N2CCOCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid?
The InChIKey is IFOKXBZCSVKYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.C2H2O4/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15;3-1(4)2(5)6/h12-13H,3-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid?
3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid has a molecular weight of 344.41 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid is sourced from PubChem (CID 2911880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).