N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide

C13H19N3O2S — CID 64555532

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
SMILESCC(=O)c1csc(NC(=O)CCC2CCCNC2)n1
InChIInChI=1S/C13H19N3O2S/c1-9(17)11-8-19-13(15-11)16-12(18)5-4-10-3-2-6-14-7-10/h8,10,14H,2-7H2,1H3,(H,15,16,18)
InChIKeyVCUYJZBIXHFFIT-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.06
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide (PubChem CID 64555532) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
PubChem CID64555532
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
SMILESCC(=O)c1csc(NC(=O)CCC2CCCNC2)n1
InChIInChI=1S/C13H19N3O2S/c1-9(17)11-8-19-13(15-11)16-12(18)5-4-10-3-2-6-14-7-10/h8,10,14H,2-7H2,1H3,(H,15,16,18)
InChIKeyVCUYJZBIXHFFIT-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide
CID 114932254
2-methyl-N-[4-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 119556347
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
N-(2-methyl-4-pyridinyl)-3-piperidin-3-ylpropanamide
CID 79241024
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114429119
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
2-piperidin-3-yl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 62674692

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide (CID 64555532) is N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide is CC(=O)c1csc(NC(=O)CCC2CCCNC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide?
The InChIKey is VCUYJZBIXHFFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(17)11-8-19-13(15-11)16-12(18)5-4-10-3-2-6-14-7-10/h8,10,14H,2-7H2,1H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide has a molecular weight of 281.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 64555532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).