2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H22N4O2S — CID 115963601

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOC1CCN(CC(=O)Nc2nc(C)cs2)C(CN)C1
InChIInChI=1S/C13H22N4O2S/c1-9-8-20-13(15-9)16-12(18)7-17-4-3-11(19-2)5-10(17)6-14/h8,10-11H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyHNLRPVKNERPBCS-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.83
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 115963601) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID115963601
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOC1CCN(CC(=O)Nc2nc(C)cs2)C(CN)C1
InChIInChI=1S/C13H22N4O2S/c1-9-8-20-13(15-9)16-12(18)7-17-4-3-11(19-2)5-10(17)6-14/h8,10-11H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyHNLRPVKNERPBCS-UHFFFAOYSA-N
XLogP0.83
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 115963601) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COC1CCN(CC(=O)Nc2nc(C)cs2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HNLRPVKNERPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-8-20-13(15-9)16-12(18)7-17-4-3-11(19-2)5-10(17)6-14/h8,10-11H,3-7,14H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 115963601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).