2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide

C17H27N3OS — CID 84593551

IUPAC2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C17H27N3OS/c21-17(10-14-4-2-1-3-5-14)19-15-6-8-20(9-7-15)12-16-11-18-13-22-16/h11,13-15H,1-10,12H2,(H,19,21)
InChIKeyYVEOKGZOYBKPNN-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.19
Rot. Bonds5

About 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide

2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 84593551) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
PubChem CID84593551
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C17H27N3OS/c21-17(10-14-4-2-1-3-5-14)19-15-6-8-20(9-7-15)12-16-11-18-13-22-16/h11,13-15H,1-10,12H2,(H,19,21)
InChIKeyYVEOKGZOYBKPNN-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide (CID 84593551) is 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide is O=C(CC1CCCCC1)NC1CCN(Cc2cncs2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is YVEOKGZOYBKPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c21-17(10-14-4-2-1-3-5-14)19-15-6-8-20(9-7-15)12-16-11-18-13-22-16/h11,13-15H,1-10,12H2,(H,19,21).
What are the key properties of 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 321.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 84593551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).