N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide

C18H27N3O2S — CID 53149401

IUPACN-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-13(22)19-10-16-12-24-17(20-16)15-8-5-9-21(11-15)18(23)14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,22)
InChIKeyPTBXIDZIAGWTBJ-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.07
Rot. Bonds4

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

N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 53149401) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID53149401
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-13(22)19-10-16-12-24-17(20-16)15-8-5-9-21(11-15)18(23)14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,22)
InChIKeyPTBXIDZIAGWTBJ-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 53149401) is N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1.
What is the InChIKey of N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is PTBXIDZIAGWTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13(22)19-10-16-12-24-17(20-16)15-8-5-9-21(11-15)18(23)14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,22).
What are the key properties of N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 53149401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).