N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C21H33N3O2S — CID 53149424

IUPACN-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)CC3CCCCC3)C2)n1
InChIInChI=1S/C21H33N3O2S/c1-15(2)20(26)22-12-18-14-27-21(23-18)17-9-6-10-24(13-17)19(25)11-16-7-4-3-5-8-16/h14-17H,3-13H2,1-2H3,(H,22,26)
InChIKeyZLCUCRZCLHIIQX-UHFFFAOYSA-N
MW391.58 g/mol
LogP4.09
Rot. Bonds6

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

N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149424) has the molecular formula C21H33N3O2S and a molecular weight of 391.58 g/mol. Its IUPAC name is N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149424
Molecular FormulaC21H33N3O2S
Molecular Weight391.58 g/mol
Exact Mass391.23
IUPAC NameN-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)CC3CCCCC3)C2)n1
InChIInChI=1S/C21H33N3O2S/c1-15(2)20(26)22-12-18-14-27-21(23-18)17-9-6-10-24(13-17)19(25)11-16-7-4-3-5-8-16/h14-17H,3-13H2,1-2H3,(H,22,26)
InChIKeyZLCUCRZCLHIIQX-UHFFFAOYSA-N
XLogP4.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149424) is N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCCN(C(=O)CC3CCCCC3)C2)n1.
What is the InChIKey of N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is ZLCUCRZCLHIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2S/c1-15(2)20(26)22-12-18-14-27-21(23-18)17-9-6-10-24(13-17)19(25)11-16-7-4-3-5-8-16/h14-17H,3-13H2,1-2H3,(H,22,26).
What are the key properties of N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 391.58 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).