2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid

C15H23N3O6S — CID 71785064

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid
SMILESCOCC1CCCN(CC(=O)Nc2nc(C)cs2)C1.O=C(O)C(=O)O
InChIInChI=1S/C13H21N3O2S.C2H2O4/c1-10-9-19-13(14-10)15-12(17)7-16-5-3-4-11(6-16)8-18-2;3-1(4)2(5)6/h9,11H,3-8H2,1-2H3,(H,14,15,17);(H,3,4)(H,5,6)
InChIKeyMQDURVJPFMBLIK-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.90
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid

2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid (PubChem CID 71785064) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid
PubChem CID71785064
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid
SMILESCOCC1CCCN(CC(=O)Nc2nc(C)cs2)C1.O=C(O)C(=O)O
InChIInChI=1S/C13H21N3O2S.C2H2O4/c1-10-9-19-13(14-10)15-12(17)7-16-5-3-4-11(6-16)8-18-2;3-1(4)2(5)6/h9,11H,3-8H2,1-2H3,(H,14,15,17);(H,3,4)(H,5,6)
InChIKeyMQDURVJPFMBLIK-UHFFFAOYSA-N
XLogP0.90
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.90
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-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid (CID 71785064) is 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid is COCC1CCCN(CC(=O)Nc2nc(C)cs2)C1.O=C(O)C(=O)O.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid?
The InChIKey is MQDURVJPFMBLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.C2H2O4/c1-10-9-19-13(14-10)15-12(17)7-16-5-3-4-11(6-16)8-18-2;3-1(4)2(5)6/h9,11H,3-8H2,1-2H3,(H,14,15,17);(H,3,4)(H,5,6).
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid?
2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid has a molecular weight of 373.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid is sourced from PubChem (CID 71785064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).