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

C18H27N3O2S — CID 46955417

IUPACN-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C18H27N3O2S/c1-13(22)20-16(17-19-9-11-24-17)15-8-5-10-21(12-15)18(23)14-6-3-2-4-7-14/h9,11,14-16H,2-8,10,12H2,1H3,(H,20,22)
InChIKeyIHWYXCPUUCVKMP-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.14
Rot. Bonds4

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

N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 46955417) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID46955417
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C18H27N3O2S/c1-13(22)20-16(17-19-9-11-24-17)15-8-5-10-21(12-15)18(23)14-6-3-2-4-7-14/h9,11,14-16H,2-8,10,12H2,1H3,(H,20,22)
InChIKeyIHWYXCPUUCVKMP-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 46955417) is N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NC(c1nccs1)C1CCCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is IHWYXCPUUCVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13(22)20-16(17-19-9-11-24-17)15-8-5-10-21(12-15)18(23)14-6-3-2-4-7-14/h9,11,14-16H,2-8,10,12H2,1H3,(H,20,22).
What are the key properties of N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 46955417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).