N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

C15H19N3OS — CID 44582209

IUPACN-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2nsc3ccccc23)CC1
InChIInChI=1S/C15H19N3OS/c1-11-6-8-18(9-7-11)10-14(19)16-15-12-4-2-3-5-13(12)20-17-15/h2-5,11H,6-10H2,1H3,(H,16,17,19)
InChIKeyFQRRZMLMAXRCDK-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.97
Rot. Bonds3

About N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 44582209) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID44582209
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2nsc3ccccc23)CC1
InChIInChI=1S/C15H19N3OS/c1-11-6-8-18(9-7-11)10-14(19)16-15-12-4-2-3-5-13(12)20-17-15/h2-5,11H,6-10H2,1H3,(H,16,17,19)
InChIKeyFQRRZMLMAXRCDK-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 70254311
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
1-carbazol-9-yl-2-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 44782279
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
1-[4-(azetidin-1-yl)-4-methylcyclohexyl]-3-(1,2-benzothiazol-3-yl)urea
CID 138025654
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(1,2-benzothiazol-3-yl)-3-ethenylsulfonylpropanamide
CID 154785487
N-iodo-2-(4-methylpiperidin-1-yl)acetamide
CID 171081144

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (CID 44582209) is N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2nsc3ccccc23)CC1.
What is the InChIKey of N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is FQRRZMLMAXRCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-6-8-18(9-7-11)10-14(19)16-15-12-4-2-3-5-13(12)20-17-15/h2-5,11H,6-10H2,1H3,(H,16,17,19).
What are the key properties of N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 44582209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).