2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C12H18N4O2S — CID 3220976

IUPAC2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H18N4O2S/c1-9(17)14-10-2-5-16(6-3-10)8-11(18)15-12-13-4-7-19-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,14,17)(H,13,15,18)
InChIKeyXJYONMUDEZEFAG-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.68
Rot. Bonds4

About 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3220976) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3220976
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H18N4O2S/c1-9(17)14-10-2-5-16(6-3-10)8-11(18)15-12-13-4-7-19-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,14,17)(H,13,15,18)
InChIKeyXJYONMUDEZEFAG-UHFFFAOYSA-N
XLogP0.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 3220976) is 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CC(=O)NC1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XJYONMUDEZEFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9(17)14-10-2-5-16(6-3-10)8-11(18)15-12-13-4-7-19-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,14,17)(H,13,15,18).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3220976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).